USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -2.27 K(o=-15,f=-17!) USER MOD Set 1.2: A 85 GLN : amide:sc= -12.7! C(o=-15!,f=-13!) USER MOD Set 2.1: A 22 SER OG : rot -76:sc= -0.0333 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 140:sc= -3.13! (180deg=-5.56!) USER MOD Single : A 16 CYS SG : rot 170:sc= -7.48! USER MOD Single : A 19 TYR OH : rot 150:sc= -5.46! USER MOD Single : A 21 SER OG : rot -30:sc= 1.03 USER MOD Single : A 26 GLN : amide:sc= -0.0235 X(o=-0.023,f=-0.023) USER MOD Single : A 27 THR OG1 : rot 58:sc= 0.483 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 8:sc= 0.45! USER MOD Single : A 45 MET CE :methyl 137:sc= -4.19! (180deg=-6.94!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -5.68! K(o=-5.7!,f=-1.6) USER MOD Single : A 52 GLN : amide:sc= -0.836 X(o=-0.84,f=-1.2) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= -2.84! (180deg=-3.19!) USER MOD Single : A 75 GLN : amide:sc= -10.1! C(o=-10!,f=-6.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.742 K(o=-0.74,f=-0.089) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.845 -28.542 -3.809 1.00 35.51 N ATOM 215 CA PHE A 15 -0.595 -28.635 -4.190 1.00 0.40 C ATOM 216 C PHE A 15 -1.309 -27.317 -3.877 1.00 63.23 C ATOM 217 O PHE A 15 -1.037 -26.674 -2.883 1.00 3.40 O ATOM 218 CB PHE A 15 -1.149 -29.775 -3.319 1.00 24.12 C ATOM 219 CG PHE A 15 -2.644 -29.624 -3.148 1.00 20.33 C ATOM 220 CD1 PHE A 15 -3.152 -28.674 -2.255 1.00 54.31 C ATOM 221 CD2 PHE A 15 -3.520 -30.433 -3.880 1.00 25.44 C ATOM 222 CE1 PHE A 15 -4.535 -28.534 -2.095 1.00 15.14 C ATOM 223 CE2 PHE A 15 -4.902 -30.292 -3.722 1.00 33.23 C ATOM 224 CZ PHE A 15 -5.410 -29.342 -2.829 1.00 42.31 C ATOM 0 HA PHE A 15 -0.738 -28.823 -5.254 1.00 0.40 H new ATOM 0 HB2 PHE A 15 -0.924 -30.737 -3.780 1.00 24.12 H new ATOM 0 HB3 PHE A 15 -0.662 -29.767 -2.344 1.00 24.12 H new ATOM 0 HD1 PHE A 15 -2.477 -28.049 -1.689 1.00 54.31 H new ATOM 0 HD2 PHE A 15 -3.128 -31.167 -4.568 1.00 25.44 H new ATOM 0 HE1 PHE A 15 -4.927 -27.802 -1.405 1.00 15.14 H new ATOM 0 HE2 PHE A 15 -5.577 -30.916 -4.289 1.00 33.23 H new ATOM 0 HZ PHE A 15 -6.477 -29.233 -2.706 1.00 42.31 H new ATOM 234 N CYS A 16 -2.229 -26.917 -4.713 1.00 54.44 N ATOM 235 CA CYS A 16 -2.966 -25.647 -4.446 1.00 2.33 C ATOM 236 C CYS A 16 -4.442 -25.817 -4.819 1.00 1.00 C ATOM 237 O CYS A 16 -4.801 -26.682 -5.594 1.00 75.04 O ATOM 238 CB CYS A 16 -2.281 -24.584 -5.316 1.00 22.10 C ATOM 239 SG CYS A 16 -2.852 -24.702 -7.031 1.00 62.14 S ATOM 0 H CYS A 16 -2.501 -27.410 -5.563 1.00 54.44 H new ATOM 0 HA CYS A 16 -2.941 -25.361 -3.395 1.00 2.33 H new ATOM 0 HB2 CYS A 16 -2.496 -23.590 -4.923 1.00 22.10 H new ATOM 0 HB3 CYS A 16 -1.200 -24.715 -5.277 1.00 22.10 H new ATOM 0 HG CYS A 16 -2.430 -23.671 -7.701 1.00 62.14 H new ATOM 245 N VAL A 17 -5.303 -25.008 -4.265 1.00 71.42 N ATOM 246 CA VAL A 17 -6.754 -25.143 -4.582 1.00 2.43 C ATOM 247 C VAL A 17 -7.249 -23.910 -5.346 1.00 2.11 C ATOM 248 O VAL A 17 -7.067 -22.788 -4.918 1.00 65.32 O ATOM 249 CB VAL A 17 -7.470 -25.240 -3.228 1.00 73.35 C ATOM 250 CG1 VAL A 17 -8.781 -26.008 -3.404 1.00 41.31 C ATOM 251 CG2 VAL A 17 -6.588 -25.977 -2.215 1.00 42.43 C ATOM 0 H VAL A 17 -5.067 -24.263 -3.610 1.00 71.42 H new ATOM 0 HA VAL A 17 -6.946 -26.015 -5.207 1.00 2.43 H new ATOM 0 HB VAL A 17 -7.672 -24.234 -2.860 1.00 73.35 H new ATOM 0 HG11 VAL A 17 -9.293 -26.079 -2.444 1.00 41.31 H new ATOM 0 HG12 VAL A 17 -9.417 -25.483 -4.116 1.00 41.31 H new ATOM 0 HG13 VAL A 17 -8.568 -27.010 -3.777 1.00 41.31 H new ATOM 0 HG21 VAL A 17 -7.107 -26.039 -1.258 1.00 42.43 H new ATOM 0 HG22 VAL A 17 -6.377 -26.982 -2.580 1.00 42.43 H new ATOM 0 HG23 VAL A 17 -5.652 -25.434 -2.085 1.00 42.43 H new ATOM 261 N ILE A 18 -7.885 -24.111 -6.468 1.00 61.14 N ATOM 262 CA ILE A 18 -8.401 -22.951 -7.251 1.00 73.50 C ATOM 263 C ILE A 18 -9.870 -22.695 -6.894 1.00 52.34 C ATOM 264 O ILE A 18 -10.750 -23.438 -7.281 1.00 31.31 O ATOM 265 CB ILE A 18 -8.264 -23.368 -8.716 1.00 2.12 C ATOM 266 CG1 ILE A 18 -6.796 -23.265 -9.139 1.00 3.53 C ATOM 267 CG2 ILE A 18 -9.112 -22.443 -9.591 1.00 23.53 C ATOM 268 CD1 ILE A 18 -6.210 -24.667 -9.294 1.00 14.40 C ATOM 0 H ILE A 18 -8.070 -25.027 -6.876 1.00 61.14 H new ATOM 0 HA ILE A 18 -7.856 -22.030 -7.042 1.00 73.50 H new ATOM 0 HB ILE A 18 -8.607 -24.396 -8.835 1.00 2.12 H new ATOM 0 HG12 ILE A 18 -6.715 -22.720 -10.079 1.00 3.53 H new ATOM 0 HG13 ILE A 18 -6.231 -22.703 -8.395 1.00 3.53 H new ATOM 0 HG21 ILE A 18 -9.015 -22.740 -10.635 1.00 23.53 H new ATOM 0 HG22 ILE A 18 -10.157 -22.514 -9.289 1.00 23.53 H new ATOM 0 HG23 ILE A 18 -8.769 -21.415 -9.473 1.00 23.53 H new ATOM 0 HD11 ILE A 18 -5.165 -24.593 -9.595 1.00 14.40 H new ATOM 0 HD12 ILE A 18 -6.277 -25.197 -8.344 1.00 14.40 H new ATOM 0 HD13 ILE A 18 -6.769 -25.213 -10.054 1.00 14.40 H new ATOM 280 N TYR A 19 -10.139 -21.653 -6.156 1.00 24.32 N ATOM 281 CA TYR A 19 -11.551 -21.354 -5.771 1.00 23.33 C ATOM 282 C TYR A 19 -12.207 -20.451 -6.816 1.00 41.12 C ATOM 283 O TYR A 19 -11.545 -19.835 -7.627 1.00 32.52 O ATOM 284 CB TYR A 19 -11.456 -20.612 -4.436 1.00 73.51 C ATOM 285 CG TYR A 19 -11.243 -21.604 -3.315 1.00 55.12 C ATOM 286 CD1 TYR A 19 -9.946 -21.987 -2.955 1.00 32.12 C ATOM 287 CD2 TYR A 19 -12.344 -22.133 -2.631 1.00 31.01 C ATOM 288 CE1 TYR A 19 -9.749 -22.900 -1.912 1.00 64.14 C ATOM 289 CE2 TYR A 19 -12.147 -23.046 -1.588 1.00 65.04 C ATOM 290 CZ TYR A 19 -10.851 -23.428 -1.229 1.00 11.21 C ATOM 291 OH TYR A 19 -10.658 -24.327 -0.200 1.00 22.52 O ATOM 0 H TYR A 19 -9.444 -20.995 -5.802 1.00 24.32 H new ATOM 0 HA TYR A 19 -12.151 -22.261 -5.700 1.00 23.33 H new ATOM 0 HB2 TYR A 19 -10.633 -19.898 -4.464 1.00 73.51 H new ATOM 0 HB3 TYR A 19 -12.368 -20.041 -4.261 1.00 73.51 H new ATOM 0 HD1 TYR A 19 -9.097 -21.578 -3.482 1.00 32.12 H new ATOM 0 HD2 TYR A 19 -13.345 -21.837 -2.908 1.00 31.01 H new ATOM 0 HE1 TYR A 19 -8.748 -23.197 -1.635 1.00 64.14 H new ATOM 0 HE2 TYR A 19 -12.996 -23.455 -1.061 1.00 65.04 H new ATOM 0 HH TYR A 19 -11.384 -24.238 0.453 1.00 22.52 H new ATOM 301 N ARG A 20 -13.509 -20.356 -6.790 1.00 15.13 N ATOM 302 CA ARG A 20 -14.213 -19.484 -7.770 1.00 73.23 C ATOM 303 C ARG A 20 -15.253 -18.627 -7.046 1.00 60.32 C ATOM 304 O ARG A 20 -15.924 -19.080 -6.139 1.00 30.14 O ATOM 305 CB ARG A 20 -14.885 -20.443 -8.751 1.00 3.54 C ATOM 306 CG ARG A 20 -16.068 -21.133 -8.069 1.00 72.11 C ATOM 307 CD ARG A 20 -16.901 -21.867 -9.122 1.00 30.32 C ATOM 308 NE ARG A 20 -18.214 -22.114 -8.465 1.00 74.00 N ATOM 309 CZ ARG A 20 -18.712 -23.320 -8.437 1.00 44.34 C ATOM 310 NH1 ARG A 20 -18.075 -24.276 -7.822 1.00 45.24 N ATOM 311 NH2 ARG A 20 -19.848 -23.571 -9.030 1.00 64.30 N ATOM 0 H ARG A 20 -14.115 -20.845 -6.131 1.00 15.13 H new ATOM 0 HA ARG A 20 -13.536 -18.800 -8.282 1.00 73.23 H new ATOM 0 HB2 ARG A 20 -15.227 -19.898 -9.631 1.00 3.54 H new ATOM 0 HB3 ARG A 20 -14.167 -21.187 -9.096 1.00 3.54 H new ATOM 0 HG2 ARG A 20 -15.710 -21.836 -7.317 1.00 72.11 H new ATOM 0 HG3 ARG A 20 -16.683 -20.398 -7.550 1.00 72.11 H new ATOM 0 HD2 ARG A 20 -17.017 -21.266 -10.024 1.00 30.32 H new ATOM 0 HD3 ARG A 20 -16.426 -22.802 -9.421 1.00 30.32 H new ATOM 0 HE ARG A 20 -18.724 -21.341 -8.037 1.00 74.00 H new ATOM 0 HH11 ARG A 20 -17.186 -24.082 -7.361 1.00 45.24 H new ATOM 0 HH12 ARG A 20 -18.466 -25.218 -7.801 1.00 45.24 H new ATOM 0 HH21 ARG A 20 -20.346 -22.825 -9.515 1.00 64.30 H new ATOM 0 HH22 ARG A 20 -20.237 -24.514 -9.008 1.00 64.30 H new ATOM 325 N SER A 21 -15.389 -17.392 -7.433 1.00 23.23 N ATOM 326 CA SER A 21 -16.386 -16.509 -6.764 1.00 60.13 C ATOM 327 C SER A 21 -17.806 -16.949 -7.124 1.00 45.01 C ATOM 328 O SER A 21 -18.086 -17.330 -8.243 1.00 13.02 O ATOM 329 CB SER A 21 -16.102 -15.109 -7.308 1.00 13.31 C ATOM 330 OG SER A 21 -14.875 -14.636 -6.767 1.00 43.32 O ATOM 0 H SER A 21 -14.854 -16.954 -8.183 1.00 23.23 H new ATOM 0 HA SER A 21 -16.309 -16.546 -5.677 1.00 60.13 H new ATOM 0 HB2 SER A 21 -16.048 -15.133 -8.396 1.00 13.31 H new ATOM 0 HB3 SER A 21 -16.914 -14.432 -7.044 1.00 13.31 H new ATOM 0 HG SER A 21 -14.739 -15.023 -5.877 1.00 43.32 H new ATOM 336 N SER A 22 -18.708 -16.900 -6.180 1.00 35.14 N ATOM 337 CA SER A 22 -20.112 -17.318 -6.463 1.00 5.02 C ATOM 338 C SER A 22 -20.696 -16.476 -7.600 1.00 21.42 C ATOM 339 O SER A 22 -21.402 -16.972 -8.455 1.00 2.12 O ATOM 340 CB SER A 22 -20.877 -17.065 -5.163 1.00 10.51 C ATOM 341 OG SER A 22 -19.956 -16.774 -4.118 1.00 3.21 O ATOM 0 H SER A 22 -18.533 -16.588 -5.225 1.00 35.14 H new ATOM 0 HA SER A 22 -20.174 -18.361 -6.774 1.00 5.02 H new ATOM 0 HB2 SER A 22 -21.570 -16.234 -5.293 1.00 10.51 H new ATOM 0 HB3 SER A 22 -21.473 -17.940 -4.903 1.00 10.51 H new ATOM 0 HG SER A 22 -19.523 -17.602 -3.824 1.00 3.21 H new ATOM 347 N LYS A 23 -20.409 -15.204 -7.616 1.00 74.41 N ATOM 348 CA LYS A 23 -20.952 -14.330 -8.695 1.00 30.13 C ATOM 349 C LYS A 23 -19.974 -13.193 -8.999 1.00 62.32 C ATOM 350 O LYS A 23 -19.980 -12.169 -8.348 1.00 73.12 O ATOM 351 CB LYS A 23 -22.258 -13.777 -8.133 1.00 63.31 C ATOM 352 CG LYS A 23 -21.976 -13.039 -6.822 1.00 41.21 C ATOM 353 CD LYS A 23 -22.870 -13.600 -5.713 1.00 72.02 C ATOM 354 CE LYS A 23 -22.227 -13.318 -4.352 1.00 42.21 C ATOM 355 NZ LYS A 23 -21.068 -14.251 -4.272 1.00 30.34 N ATOM 0 H LYS A 23 -19.822 -14.731 -6.929 1.00 74.41 H new ATOM 0 HA LYS A 23 -21.106 -14.872 -9.628 1.00 30.13 H new ATOM 0 HB2 LYS A 23 -22.718 -13.100 -8.852 1.00 63.31 H new ATOM 0 HB3 LYS A 23 -22.965 -14.588 -7.961 1.00 63.31 H new ATOM 0 HG2 LYS A 23 -20.927 -13.151 -6.549 1.00 41.21 H new ATOM 0 HG3 LYS A 23 -22.161 -11.972 -6.947 1.00 41.21 H new ATOM 0 HD2 LYS A 23 -23.859 -13.144 -5.762 1.00 72.02 H new ATOM 0 HD3 LYS A 23 -23.006 -14.673 -5.848 1.00 72.02 H new ATOM 0 HE2 LYS A 23 -21.904 -12.280 -4.276 1.00 42.21 H new ATOM 0 HE3 LYS A 23 -22.931 -13.493 -3.539 1.00 42.21 H new ATOM 0 HZ1 LYS A 23 -20.259 -13.763 -3.838 1.00 30.34 H new ATOM 0 HZ2 LYS A 23 -21.326 -15.076 -3.693 1.00 30.34 H new ATOM 0 HZ3 LYS A 23 -20.810 -14.567 -5.229 1.00 30.34 H new ATOM 369 N ARG A 24 -19.134 -13.363 -9.982 1.00 35.22 N ATOM 370 CA ARG A 24 -18.159 -12.289 -10.322 1.00 64.14 C ATOM 371 C ARG A 24 -17.707 -12.421 -11.777 1.00 51.20 C ATOM 372 O ARG A 24 -18.180 -13.269 -12.510 1.00 72.05 O ATOM 373 CB ARG A 24 -16.981 -12.509 -9.373 1.00 23.44 C ATOM 374 CG ARG A 24 -17.016 -11.455 -8.266 1.00 70.42 C ATOM 375 CD ARG A 24 -16.780 -10.070 -8.871 1.00 42.33 C ATOM 376 NE ARG A 24 -15.780 -9.426 -7.977 1.00 32.23 N ATOM 377 CZ ARG A 24 -15.675 -8.125 -7.950 1.00 51.25 C ATOM 378 NH1 ARG A 24 -16.032 -7.422 -8.990 1.00 70.51 N ATOM 379 NH2 ARG A 24 -15.214 -7.528 -6.886 1.00 32.41 N ATOM 0 H ARG A 24 -19.080 -14.199 -10.564 1.00 35.22 H new ATOM 0 HA ARG A 24 -18.590 -11.294 -10.215 1.00 64.14 H new ATOM 0 HB2 ARG A 24 -17.030 -13.508 -8.940 1.00 23.44 H new ATOM 0 HB3 ARG A 24 -16.041 -12.445 -9.921 1.00 23.44 H new ATOM 0 HG2 ARG A 24 -17.979 -11.481 -7.755 1.00 70.42 H new ATOM 0 HG3 ARG A 24 -16.253 -11.672 -7.519 1.00 70.42 H new ATOM 0 HD2 ARG A 24 -16.407 -10.144 -9.893 1.00 42.33 H new ATOM 0 HD3 ARG A 24 -17.704 -9.493 -8.910 1.00 42.33 H new ATOM 0 HE ARG A 24 -15.178 -10.000 -7.387 1.00 32.23 H new ATOM 0 HH11 ARG A 24 -16.392 -7.889 -9.822 1.00 70.51 H new ATOM 0 HH12 ARG A 24 -15.951 -6.405 -8.971 1.00 70.51 H new ATOM 0 HH21 ARG A 24 -14.935 -8.078 -6.073 1.00 32.41 H new ATOM 0 HH22 ARG A 24 -15.133 -6.511 -6.867 1.00 32.41 H new ATOM 393 N ASP A 25 -16.794 -11.590 -12.203 1.00 24.32 N ATOM 394 CA ASP A 25 -16.314 -11.668 -13.613 1.00 23.23 C ATOM 395 C ASP A 25 -15.289 -12.793 -13.764 1.00 70.51 C ATOM 396 O ASP A 25 -14.182 -12.584 -14.217 1.00 44.52 O ATOM 397 CB ASP A 25 -15.667 -10.313 -13.889 1.00 5.42 C ATOM 398 CG ASP A 25 -14.575 -10.048 -12.852 1.00 34.02 C ATOM 399 OD1 ASP A 25 -13.968 -11.005 -12.401 1.00 45.41 O ATOM 400 OD2 ASP A 25 -14.361 -8.891 -12.527 1.00 54.45 O ATOM 0 H ASP A 25 -16.360 -10.861 -11.636 1.00 24.32 H new ATOM 0 HA ASP A 25 -17.123 -11.882 -14.311 1.00 23.23 H new ATOM 0 HB2 ASP A 25 -15.241 -10.299 -14.892 1.00 5.42 H new ATOM 0 HB3 ASP A 25 -16.419 -9.525 -13.851 1.00 5.42 H new ATOM 405 N GLN A 26 -15.658 -13.985 -13.392 1.00 52.11 N ATOM 406 CA GLN A 26 -14.719 -15.139 -13.515 1.00 71.12 C ATOM 407 C GLN A 26 -13.475 -14.926 -12.644 1.00 20.35 C ATOM 408 O GLN A 26 -12.359 -14.972 -13.119 1.00 53.41 O ATOM 409 CB GLN A 26 -14.335 -15.182 -14.995 1.00 34.11 C ATOM 410 CG GLN A 26 -15.135 -16.278 -15.703 1.00 72.11 C ATOM 411 CD GLN A 26 -16.600 -15.846 -15.815 1.00 31.52 C ATOM 412 OE1 GLN A 26 -17.436 -16.292 -15.056 1.00 10.33 O ATOM 413 NE2 GLN A 26 -16.946 -14.991 -16.738 1.00 32.50 N ATOM 0 H GLN A 26 -16.574 -14.214 -13.006 1.00 52.11 H new ATOM 0 HA GLN A 26 -15.176 -16.071 -13.181 1.00 71.12 H new ATOM 0 HB2 GLN A 26 -14.532 -14.216 -15.460 1.00 34.11 H new ATOM 0 HB3 GLN A 26 -13.267 -15.373 -15.098 1.00 34.11 H new ATOM 0 HG2 GLN A 26 -14.722 -16.462 -16.695 1.00 72.11 H new ATOM 0 HG3 GLN A 26 -15.061 -17.213 -15.148 1.00 72.11 H new ATOM 0 HE21 GLN A 26 -16.243 -14.616 -17.375 1.00 32.50 H new ATOM 0 HE22 GLN A 26 -17.919 -14.697 -16.822 1.00 32.50 H new ATOM 422 N THR A 27 -13.659 -14.707 -11.370 1.00 64.13 N ATOM 423 CA THR A 27 -12.485 -14.506 -10.470 1.00 11.03 C ATOM 424 C THR A 27 -12.177 -15.809 -9.727 1.00 64.14 C ATOM 425 O THR A 27 -13.071 -16.536 -9.340 1.00 10.12 O ATOM 426 CB THR A 27 -12.915 -13.414 -9.490 1.00 3.42 C ATOM 427 OG1 THR A 27 -13.053 -12.183 -10.186 1.00 43.31 O ATOM 428 CG2 THR A 27 -11.860 -13.269 -8.391 1.00 21.12 C ATOM 0 H THR A 27 -14.570 -14.658 -10.913 1.00 64.13 H new ATOM 0 HA THR A 27 -11.584 -14.224 -11.014 1.00 11.03 H new ATOM 0 HB THR A 27 -13.870 -13.684 -9.039 1.00 3.42 H new ATOM 0 HG1 THR A 27 -13.706 -12.288 -10.909 1.00 43.31 H new ATOM 0 HG21 THR A 27 -12.167 -12.490 -7.693 1.00 21.12 H new ATOM 0 HG22 THR A 27 -11.757 -14.214 -7.858 1.00 21.12 H new ATOM 0 HG23 THR A 27 -10.903 -12.999 -8.838 1.00 21.12 H new ATOM 436 N TYR A 28 -10.923 -16.120 -9.529 1.00 64.13 N ATOM 437 CA TYR A 28 -10.582 -17.385 -8.817 1.00 3.32 C ATOM 438 C TYR A 28 -9.494 -17.145 -7.767 1.00 55.53 C ATOM 439 O TYR A 28 -8.575 -16.379 -7.970 1.00 44.22 O ATOM 440 CB TYR A 28 -10.065 -18.321 -9.910 1.00 24.13 C ATOM 441 CG TYR A 28 -11.233 -18.891 -10.676 1.00 41.30 C ATOM 442 CD1 TYR A 28 -11.915 -18.097 -11.606 1.00 43.32 C ATOM 443 CD2 TYR A 28 -11.634 -20.214 -10.456 1.00 61.31 C ATOM 444 CE1 TYR A 28 -12.998 -18.627 -12.316 1.00 24.44 C ATOM 445 CE2 TYR A 28 -12.717 -20.744 -11.165 1.00 22.24 C ATOM 446 CZ TYR A 28 -13.400 -19.952 -12.095 1.00 61.02 C ATOM 447 OH TYR A 28 -14.467 -20.474 -12.797 1.00 45.04 O ATOM 0 H TYR A 28 -10.126 -15.557 -9.827 1.00 64.13 H new ATOM 0 HA TYR A 28 -11.441 -17.797 -8.287 1.00 3.32 H new ATOM 0 HB2 TYR A 28 -9.403 -17.779 -10.585 1.00 24.13 H new ATOM 0 HB3 TYR A 28 -9.479 -19.126 -9.467 1.00 24.13 H new ATOM 0 HD1 TYR A 28 -11.605 -17.076 -11.775 1.00 43.32 H new ATOM 0 HD2 TYR A 28 -11.107 -20.826 -9.739 1.00 61.31 H new ATOM 0 HE1 TYR A 28 -13.524 -18.016 -13.034 1.00 24.44 H new ATOM 0 HE2 TYR A 28 -13.026 -21.765 -10.995 1.00 22.24 H new ATOM 0 HH TYR A 28 -14.613 -21.404 -12.526 1.00 45.04 H new ATOM 457 N LEU A 29 -9.592 -17.808 -6.645 1.00 43.11 N ATOM 458 CA LEU A 29 -8.564 -17.636 -5.580 1.00 51.54 C ATOM 459 C LEU A 29 -7.649 -18.866 -5.542 1.00 5.35 C ATOM 460 O LEU A 29 -8.034 -19.947 -5.942 1.00 64.11 O ATOM 461 CB LEU A 29 -9.359 -17.517 -4.278 1.00 40.21 C ATOM 462 CG LEU A 29 -9.144 -16.128 -3.669 1.00 53.05 C ATOM 463 CD1 LEU A 29 -9.967 -15.999 -2.386 1.00 74.11 C ATOM 464 CD2 LEU A 29 -7.662 -15.938 -3.337 1.00 10.41 C ATOM 0 H LEU A 29 -10.342 -18.462 -6.421 1.00 43.11 H new ATOM 0 HA LEU A 29 -7.929 -16.766 -5.747 1.00 51.54 H new ATOM 0 HB2 LEU A 29 -10.419 -17.680 -4.471 1.00 40.21 H new ATOM 0 HB3 LEU A 29 -9.041 -18.287 -3.575 1.00 40.21 H new ATOM 0 HG LEU A 29 -9.459 -15.369 -4.385 1.00 53.05 H new ATOM 0 HD11 LEU A 29 -9.814 -15.010 -1.953 1.00 74.11 H new ATOM 0 HD12 LEU A 29 -11.024 -16.134 -2.616 1.00 74.11 H new ATOM 0 HD13 LEU A 29 -9.651 -16.760 -1.673 1.00 74.11 H new ATOM 0 HD21 LEU A 29 -7.510 -14.949 -2.904 1.00 10.41 H new ATOM 0 HD22 LEU A 29 -7.349 -16.699 -2.623 1.00 10.41 H new ATOM 0 HD23 LEU A 29 -7.070 -16.030 -4.248 1.00 10.41 H new ATOM 476 N TYR A 30 -6.443 -18.716 -5.070 1.00 44.43 N ATOM 477 CA TYR A 30 -5.516 -19.884 -5.013 1.00 2.14 C ATOM 478 C TYR A 30 -4.904 -20.011 -3.616 1.00 54.33 C ATOM 479 O TYR A 30 -4.592 -19.027 -2.973 1.00 13.12 O ATOM 480 CB TYR A 30 -4.429 -19.578 -6.043 1.00 3.43 C ATOM 481 CG TYR A 30 -4.986 -19.737 -7.437 1.00 63.32 C ATOM 482 CD1 TYR A 30 -5.911 -18.808 -7.927 1.00 55.14 C ATOM 483 CD2 TYR A 30 -4.579 -20.808 -8.239 1.00 70.02 C ATOM 484 CE1 TYR A 30 -6.428 -18.951 -9.218 1.00 3.43 C ATOM 485 CE2 TYR A 30 -5.096 -20.951 -9.533 1.00 70.14 C ATOM 486 CZ TYR A 30 -6.020 -20.023 -10.022 1.00 21.02 C ATOM 487 OH TYR A 30 -6.531 -20.162 -11.295 1.00 1.14 O ATOM 0 H TYR A 30 -6.058 -17.838 -4.722 1.00 44.43 H new ATOM 0 HA TYR A 30 -6.027 -20.824 -5.223 1.00 2.14 H new ATOM 0 HB2 TYR A 30 -4.058 -18.563 -5.903 1.00 3.43 H new ATOM 0 HB3 TYR A 30 -3.582 -20.249 -5.901 1.00 3.43 H new ATOM 0 HD1 TYR A 30 -6.225 -17.981 -7.308 1.00 55.14 H new ATOM 0 HD2 TYR A 30 -3.866 -21.525 -7.860 1.00 70.02 H new ATOM 0 HE1 TYR A 30 -7.142 -18.234 -9.596 1.00 3.43 H new ATOM 0 HE2 TYR A 30 -4.781 -21.778 -10.152 1.00 70.14 H new ATOM 0 HH TYR A 30 -6.144 -20.957 -11.718 1.00 1.14 H new ATOM 497 N VAL A 31 -4.728 -21.213 -3.141 1.00 62.01 N ATOM 498 CA VAL A 31 -4.132 -21.404 -1.784 1.00 55.25 C ATOM 499 C VAL A 31 -3.421 -22.753 -1.701 1.00 14.44 C ATOM 500 O VAL A 31 -3.769 -23.693 -2.389 1.00 42.23 O ATOM 501 CB VAL A 31 -5.305 -21.368 -0.795 1.00 14.23 C ATOM 502 CG1 VAL A 31 -5.520 -19.931 -0.327 1.00 35.11 C ATOM 503 CG2 VAL A 31 -6.585 -21.889 -1.457 1.00 54.41 C ATOM 0 H VAL A 31 -4.971 -22.073 -3.632 1.00 62.01 H new ATOM 0 HA VAL A 31 -3.396 -20.631 -1.563 1.00 55.25 H new ATOM 0 HB VAL A 31 -5.071 -22.007 0.056 1.00 14.23 H new ATOM 0 HG11 VAL A 31 -6.352 -19.898 0.376 1.00 35.11 H new ATOM 0 HG12 VAL A 31 -4.616 -19.569 0.163 1.00 35.11 H new ATOM 0 HG13 VAL A 31 -5.745 -19.299 -1.186 1.00 35.11 H new ATOM 0 HG21 VAL A 31 -7.405 -21.856 -0.740 1.00 54.41 H new ATOM 0 HG22 VAL A 31 -6.829 -21.266 -2.317 1.00 54.41 H new ATOM 0 HG23 VAL A 31 -6.432 -22.917 -1.786 1.00 54.41 H new ATOM 513 N GLU A 32 -2.433 -22.861 -0.857 1.00 52.11 N ATOM 514 CA GLU A 32 -1.709 -24.157 -0.728 1.00 63.14 C ATOM 515 C GLU A 32 -2.684 -25.238 -0.257 1.00 50.44 C ATOM 516 O GLU A 32 -2.425 -26.420 -0.373 1.00 32.22 O ATOM 517 CB GLU A 32 -0.627 -23.911 0.325 1.00 21.23 C ATOM 518 CG GLU A 32 -1.280 -23.478 1.638 1.00 64.45 C ATOM 519 CD GLU A 32 -0.220 -23.414 2.735 1.00 25.45 C ATOM 520 OE1 GLU A 32 0.470 -24.402 2.927 1.00 12.04 O ATOM 521 OE2 GLU A 32 -0.115 -22.376 3.371 1.00 13.10 O ATOM 0 H GLU A 32 -2.096 -22.111 -0.253 1.00 52.11 H new ATOM 0 HA GLU A 32 -1.278 -24.493 -1.671 1.00 63.14 H new ATOM 0 HB2 GLU A 32 -0.042 -24.818 0.479 1.00 21.23 H new ATOM 0 HB3 GLU A 32 0.063 -23.142 -0.021 1.00 21.23 H new ATOM 0 HG2 GLU A 32 -1.754 -22.504 1.517 1.00 64.45 H new ATOM 0 HG3 GLU A 32 -2.065 -24.182 1.916 1.00 64.45 H new ATOM 528 N LYS A 33 -3.807 -24.836 0.273 1.00 22.21 N ATOM 529 CA LYS A 33 -4.812 -25.827 0.748 1.00 51.14 C ATOM 530 C LYS A 33 -6.183 -25.152 0.882 1.00 12.43 C ATOM 531 O LYS A 33 -6.313 -23.952 0.740 1.00 33.42 O ATOM 532 CB LYS A 33 -4.295 -26.313 2.110 1.00 33.53 C ATOM 533 CG LYS A 33 -4.758 -25.366 3.222 1.00 22.22 C ATOM 534 CD LYS A 33 -4.212 -25.850 4.568 1.00 50.02 C ATOM 535 CE LYS A 33 -2.824 -25.250 4.805 1.00 44.02 C ATOM 536 NZ LYS A 33 -2.121 -26.240 5.668 1.00 4.34 N ATOM 0 H LYS A 33 -4.072 -23.859 0.398 1.00 22.21 H new ATOM 0 HA LYS A 33 -4.936 -26.660 0.056 1.00 51.14 H new ATOM 0 HB2 LYS A 33 -4.659 -27.321 2.306 1.00 33.53 H new ATOM 0 HB3 LYS A 33 -3.206 -26.364 2.096 1.00 33.53 H new ATOM 0 HG2 LYS A 33 -4.410 -24.353 3.020 1.00 22.22 H new ATOM 0 HG3 LYS A 33 -5.847 -25.329 3.252 1.00 22.22 H new ATOM 0 HD2 LYS A 33 -4.888 -25.558 5.372 1.00 50.02 H new ATOM 0 HD3 LYS A 33 -4.155 -26.938 4.579 1.00 50.02 H new ATOM 0 HE2 LYS A 33 -2.293 -25.098 3.865 1.00 44.02 H new ATOM 0 HE3 LYS A 33 -2.892 -24.278 5.293 1.00 44.02 H new ATOM 0 HZ1 LYS A 33 -1.160 -25.900 5.875 1.00 4.34 H new ATOM 0 HZ2 LYS A 33 -2.646 -26.359 6.558 1.00 4.34 H new ATOM 0 HZ3 LYS A 33 -2.066 -27.154 5.174 1.00 4.34 H new ATOM 550 N LYS A 34 -7.202 -25.914 1.151 1.00 40.43 N ATOM 551 CA LYS A 34 -8.561 -25.321 1.294 1.00 41.13 C ATOM 552 C LYS A 34 -8.838 -24.988 2.764 1.00 5.33 C ATOM 553 O LYS A 34 -9.748 -25.520 3.368 1.00 51.52 O ATOM 554 CB LYS A 34 -9.521 -26.400 0.796 1.00 62.41 C ATOM 555 CG LYS A 34 -9.276 -27.701 1.565 1.00 71.23 C ATOM 556 CD LYS A 34 -10.609 -28.411 1.806 1.00 43.52 C ATOM 557 CE LYS A 34 -10.818 -29.480 0.731 1.00 0.24 C ATOM 558 NZ LYS A 34 -12.183 -30.020 0.986 1.00 74.41 N ATOM 0 H LYS A 34 -7.154 -26.925 1.279 1.00 40.43 H new ATOM 0 HA LYS A 34 -8.669 -24.393 0.732 1.00 41.13 H new ATOM 0 HB2 LYS A 34 -10.552 -26.074 0.932 1.00 62.41 H new ATOM 0 HB3 LYS A 34 -9.377 -26.564 -0.272 1.00 62.41 H new ATOM 0 HG2 LYS A 34 -8.604 -28.348 1.001 1.00 71.23 H new ATOM 0 HG3 LYS A 34 -8.789 -27.487 2.516 1.00 71.23 H new ATOM 0 HD2 LYS A 34 -10.616 -28.868 2.795 1.00 43.52 H new ATOM 0 HD3 LYS A 34 -11.427 -27.691 1.782 1.00 43.52 H new ATOM 0 HE2 LYS A 34 -10.742 -29.054 -0.269 1.00 0.24 H new ATOM 0 HE3 LYS A 34 -10.064 -30.264 0.802 1.00 0.24 H new ATOM 0 HZ1 LYS A 34 -12.400 -30.760 0.288 1.00 74.41 H new ATOM 0 HZ2 LYS A 34 -12.223 -30.425 1.943 1.00 74.41 H new ATOM 0 HZ3 LYS A 34 -12.881 -29.253 0.905 1.00 74.41 H new ATOM 572 N ASP A 35 -8.059 -24.117 3.346 1.00 23.03 N ATOM 573 CA ASP A 35 -8.290 -23.769 4.781 1.00 23.31 C ATOM 574 C ASP A 35 -9.039 -22.436 4.910 1.00 52.33 C ATOM 575 O ASP A 35 -10.196 -22.405 5.279 1.00 34.14 O ATOM 576 CB ASP A 35 -6.899 -23.683 5.431 1.00 70.41 C ATOM 577 CG ASP A 35 -5.893 -23.039 4.473 1.00 4.33 C ATOM 578 OD1 ASP A 35 -6.330 -22.422 3.514 1.00 75.22 O ATOM 579 OD2 ASP A 35 -4.706 -23.175 4.712 1.00 12.10 O ATOM 0 H ASP A 35 -7.280 -23.635 2.897 1.00 23.03 H new ATOM 0 HA ASP A 35 -8.909 -24.519 5.273 1.00 23.31 H new ATOM 0 HB2 ASP A 35 -6.957 -23.101 6.351 1.00 70.41 H new ATOM 0 HB3 ASP A 35 -6.559 -24.681 5.707 1.00 70.41 H new ATOM 584 N ASP A 36 -8.399 -21.336 4.620 1.00 32.43 N ATOM 585 CA ASP A 36 -9.088 -20.020 4.742 1.00 21.51 C ATOM 586 C ASP A 36 -8.294 -18.925 4.022 1.00 41.13 C ATOM 587 O ASP A 36 -7.183 -19.133 3.581 1.00 52.21 O ATOM 588 CB ASP A 36 -9.132 -19.728 6.243 1.00 61.32 C ATOM 589 CG ASP A 36 -10.359 -20.400 6.862 1.00 15.32 C ATOM 590 OD1 ASP A 36 -11.448 -20.185 6.355 1.00 43.10 O ATOM 591 OD2 ASP A 36 -10.192 -21.119 7.833 1.00 72.14 O ATOM 0 H ASP A 36 -7.430 -21.292 4.304 1.00 32.43 H new ATOM 0 HA ASP A 36 -10.081 -20.044 4.294 1.00 21.51 H new ATOM 0 HB2 ASP A 36 -8.224 -20.095 6.722 1.00 61.32 H new ATOM 0 HB3 ASP A 36 -9.170 -18.652 6.413 1.00 61.32 H new ATOM 596 N PHE A 37 -8.862 -17.756 3.917 1.00 1.50 N ATOM 597 CA PHE A 37 -8.152 -16.631 3.242 1.00 74.34 C ATOM 598 C PHE A 37 -8.026 -15.453 4.215 1.00 34.05 C ATOM 599 O PHE A 37 -8.965 -14.713 4.436 1.00 74.40 O ATOM 600 CB PHE A 37 -9.050 -16.247 2.065 1.00 70.22 C ATOM 601 CG PHE A 37 -8.862 -17.224 0.929 1.00 41.10 C ATOM 602 CD1 PHE A 37 -7.877 -16.996 -0.038 1.00 55.23 C ATOM 603 CD2 PHE A 37 -9.680 -18.357 0.840 1.00 65.23 C ATOM 604 CE1 PHE A 37 -7.709 -17.900 -1.094 1.00 35.24 C ATOM 605 CE2 PHE A 37 -9.514 -19.259 -0.216 1.00 73.42 C ATOM 606 CZ PHE A 37 -8.527 -19.033 -1.183 1.00 1.44 C ATOM 0 H PHE A 37 -9.791 -17.529 4.271 1.00 1.50 H new ATOM 0 HA PHE A 37 -7.148 -16.903 2.917 1.00 74.34 H new ATOM 0 HB2 PHE A 37 -10.093 -16.240 2.380 1.00 70.22 H new ATOM 0 HB3 PHE A 37 -8.812 -15.237 1.730 1.00 70.22 H new ATOM 0 HD1 PHE A 37 -7.246 -16.122 0.030 1.00 55.23 H new ATOM 0 HD2 PHE A 37 -10.439 -18.534 1.587 1.00 65.23 H new ATOM 0 HE1 PHE A 37 -6.948 -17.723 -1.840 1.00 35.24 H new ATOM 0 HE2 PHE A 37 -10.148 -20.131 -0.286 1.00 73.42 H new ATOM 0 HZ PHE A 37 -8.397 -19.732 -1.996 1.00 1.44 H new ATOM 616 N SER A 38 -6.874 -15.276 4.807 1.00 55.32 N ATOM 617 CA SER A 38 -6.693 -14.153 5.772 1.00 72.15 C ATOM 618 C SER A 38 -5.733 -13.100 5.210 1.00 72.20 C ATOM 619 O SER A 38 -5.508 -12.070 5.813 1.00 70.03 O ATOM 620 CB SER A 38 -6.098 -14.799 7.024 1.00 75.33 C ATOM 621 OG SER A 38 -5.494 -13.791 7.829 1.00 60.53 O ATOM 0 H SER A 38 -6.051 -15.861 4.664 1.00 55.32 H new ATOM 0 HA SER A 38 -7.633 -13.640 5.977 1.00 72.15 H new ATOM 0 HB2 SER A 38 -6.877 -15.313 7.587 1.00 75.33 H new ATOM 0 HB3 SER A 38 -5.359 -15.549 6.744 1.00 75.33 H new ATOM 0 HG SER A 38 -5.709 -12.908 7.463 1.00 60.53 H new ATOM 627 N ARG A 39 -5.158 -13.351 4.067 1.00 62.14 N ATOM 628 CA ARG A 39 -4.206 -12.361 3.485 1.00 31.12 C ATOM 629 C ARG A 39 -4.903 -11.508 2.425 1.00 51.14 C ATOM 630 O ARG A 39 -4.449 -10.432 2.086 1.00 70.34 O ATOM 631 CB ARG A 39 -3.099 -13.199 2.849 1.00 25.53 C ATOM 632 CG ARG A 39 -1.897 -12.302 2.535 1.00 31.30 C ATOM 633 CD ARG A 39 -0.756 -12.617 3.507 1.00 60.40 C ATOM 634 NE ARG A 39 -1.252 -12.168 4.839 1.00 14.21 N ATOM 635 CZ ARG A 39 -0.519 -11.375 5.574 1.00 4.12 C ATOM 636 NH1 ARG A 39 -0.629 -10.080 5.444 1.00 10.23 N ATOM 637 NH2 ARG A 39 0.317 -11.875 6.441 1.00 13.43 N ATOM 0 H ARG A 39 -5.304 -14.194 3.512 1.00 62.14 H new ATOM 0 HA ARG A 39 -3.819 -11.675 4.239 1.00 31.12 H new ATOM 0 HB2 ARG A 39 -2.801 -14.001 3.525 1.00 25.53 H new ATOM 0 HB3 ARG A 39 -3.463 -13.670 1.936 1.00 25.53 H new ATOM 0 HG2 ARG A 39 -1.569 -12.462 1.508 1.00 31.30 H new ATOM 0 HG3 ARG A 39 -2.181 -11.253 2.619 1.00 31.30 H new ATOM 0 HD2 ARG A 39 -0.523 -13.682 3.511 1.00 60.40 H new ATOM 0 HD3 ARG A 39 0.157 -12.092 3.228 1.00 60.40 H new ATOM 0 HE ARG A 39 -2.163 -12.480 5.176 1.00 14.21 H new ATOM 0 HH11 ARG A 39 -1.287 -9.689 4.769 1.00 10.23 H new ATOM 0 HH12 ARG A 39 -0.057 -9.460 6.017 1.00 10.23 H new ATOM 0 HH21 ARG A 39 0.399 -12.886 6.546 1.00 13.43 H new ATOM 0 HH22 ARG A 39 0.889 -11.255 7.014 1.00 13.43 H new ATOM 651 N VAL A 40 -5.998 -11.973 1.899 1.00 60.41 N ATOM 652 CA VAL A 40 -6.712 -11.181 0.863 1.00 22.34 C ATOM 653 C VAL A 40 -7.236 -9.878 1.474 1.00 44.40 C ATOM 654 O VAL A 40 -7.792 -9.879 2.555 1.00 20.42 O ATOM 655 CB VAL A 40 -7.870 -12.069 0.406 1.00 51.44 C ATOM 656 CG1 VAL A 40 -8.852 -12.266 1.559 1.00 71.12 C ATOM 657 CG2 VAL A 40 -8.589 -11.400 -0.768 1.00 20.14 C ATOM 0 H VAL A 40 -6.429 -12.865 2.141 1.00 60.41 H new ATOM 0 HA VAL A 40 -6.065 -10.906 0.030 1.00 22.34 H new ATOM 0 HB VAL A 40 -7.482 -13.038 0.093 1.00 51.44 H new ATOM 0 HG11 VAL A 40 -9.676 -12.899 1.231 1.00 71.12 H new ATOM 0 HG12 VAL A 40 -8.340 -12.741 2.396 1.00 71.12 H new ATOM 0 HG13 VAL A 40 -9.241 -11.298 1.875 1.00 71.12 H new ATOM 0 HG21 VAL A 40 -9.415 -12.031 -1.096 1.00 20.14 H new ATOM 0 HG22 VAL A 40 -8.975 -10.431 -0.453 1.00 20.14 H new ATOM 0 HG23 VAL A 40 -7.889 -11.261 -1.592 1.00 20.14 H new ATOM 667 N PRO A 41 -7.037 -8.809 0.755 1.00 72.53 N ATOM 668 CA PRO A 41 -7.488 -7.476 1.228 1.00 20.44 C ATOM 669 C PRO A 41 -9.017 -7.398 1.239 1.00 14.25 C ATOM 670 O PRO A 41 -9.688 -8.063 0.473 1.00 11.43 O ATOM 671 CB PRO A 41 -6.893 -6.516 0.200 1.00 54.11 C ATOM 672 CG PRO A 41 -6.695 -7.346 -1.027 1.00 65.13 C ATOM 673 CD PRO A 41 -6.381 -8.740 -0.552 1.00 3.33 C ATOM 0 HA PRO A 41 -7.172 -7.250 2.246 1.00 20.44 H new ATOM 0 HB2 PRO A 41 -7.563 -5.678 0.007 1.00 54.11 H new ATOM 0 HB3 PRO A 41 -5.950 -6.096 0.550 1.00 54.11 H new ATOM 0 HG2 PRO A 41 -7.591 -7.340 -1.648 1.00 65.13 H new ATOM 0 HG3 PRO A 41 -5.882 -6.951 -1.636 1.00 65.13 H new ATOM 0 HD2 PRO A 41 -6.769 -9.495 -1.236 1.00 3.33 H new ATOM 0 HD3 PRO A 41 -5.307 -8.905 -0.471 1.00 3.33 H new ATOM 681 N GLU A 42 -9.571 -6.598 2.105 1.00 30.32 N ATOM 682 CA GLU A 42 -11.053 -6.481 2.170 1.00 63.13 C ATOM 683 C GLU A 42 -11.590 -5.799 0.910 1.00 31.15 C ATOM 684 O GLU A 42 -12.775 -5.804 0.647 1.00 71.34 O ATOM 685 CB GLU A 42 -11.323 -5.621 3.407 1.00 1.24 C ATOM 686 CG GLU A 42 -12.209 -6.396 4.385 1.00 62.40 C ATOM 687 CD GLU A 42 -13.660 -5.936 4.236 1.00 60.04 C ATOM 688 OE1 GLU A 42 -14.361 -6.507 3.417 1.00 55.24 O ATOM 689 OE2 GLU A 42 -14.047 -5.020 4.944 1.00 63.13 O ATOM 0 H GLU A 42 -9.060 -6.019 2.772 1.00 30.32 H new ATOM 0 HA GLU A 42 -11.543 -7.453 2.232 1.00 63.13 H new ATOM 0 HB2 GLU A 42 -10.383 -5.351 3.887 1.00 1.24 H new ATOM 0 HB3 GLU A 42 -11.811 -4.691 3.117 1.00 1.24 H new ATOM 0 HG2 GLU A 42 -12.134 -7.466 4.190 1.00 62.40 H new ATOM 0 HG3 GLU A 42 -11.868 -6.233 5.408 1.00 62.40 H new ATOM 696 N GLU A 43 -10.726 -5.216 0.125 1.00 0.41 N ATOM 697 CA GLU A 43 -11.193 -4.540 -1.119 1.00 23.53 C ATOM 698 C GLU A 43 -11.540 -5.586 -2.182 1.00 3.14 C ATOM 699 O GLU A 43 -12.496 -5.444 -2.918 1.00 71.50 O ATOM 700 CB GLU A 43 -10.018 -3.672 -1.574 1.00 14.34 C ATOM 701 CG GLU A 43 -8.873 -4.567 -2.056 1.00 12.05 C ATOM 702 CD GLU A 43 -7.569 -3.765 -2.069 1.00 50.43 C ATOM 703 OE1 GLU A 43 -7.415 -2.938 -2.952 1.00 41.02 O ATOM 704 OE2 GLU A 43 -6.750 -3.992 -1.194 1.00 63.12 O ATOM 0 H GLU A 43 -9.720 -5.178 0.290 1.00 0.41 H new ATOM 0 HA GLU A 43 -12.090 -3.943 -0.954 1.00 23.53 H new ATOM 0 HB2 GLU A 43 -10.335 -3.006 -2.377 1.00 14.34 H new ATOM 0 HB3 GLU A 43 -9.679 -3.042 -0.752 1.00 14.34 H new ATOM 0 HG2 GLU A 43 -8.773 -5.433 -1.401 1.00 12.05 H new ATOM 0 HG3 GLU A 43 -9.089 -4.946 -3.055 1.00 12.05 H new ATOM 711 N LEU A 44 -10.775 -6.641 -2.259 1.00 62.32 N ATOM 712 CA LEU A 44 -11.067 -7.700 -3.266 1.00 55.31 C ATOM 713 C LEU A 44 -12.053 -8.713 -2.685 1.00 65.04 C ATOM 714 O LEU A 44 -13.044 -9.053 -3.298 1.00 15.22 O ATOM 715 CB LEU A 44 -9.718 -8.365 -3.546 1.00 33.33 C ATOM 716 CG LEU A 44 -9.463 -8.387 -5.055 1.00 1.11 C ATOM 717 CD1 LEU A 44 -10.537 -9.234 -5.742 1.00 71.41 C ATOM 718 CD2 LEU A 44 -9.516 -6.958 -5.600 1.00 74.21 C ATOM 0 H LEU A 44 -9.962 -6.815 -1.669 1.00 62.32 H new ATOM 0 HA LEU A 44 -11.517 -7.298 -4.174 1.00 55.31 H new ATOM 0 HB2 LEU A 44 -8.920 -7.821 -3.040 1.00 33.33 H new ATOM 0 HB3 LEU A 44 -9.712 -9.381 -3.151 1.00 33.33 H new ATOM 0 HG LEU A 44 -8.481 -8.817 -5.252 1.00 1.11 H new ATOM 0 HD11 LEU A 44 -10.356 -9.250 -6.817 1.00 71.41 H new ATOM 0 HD12 LEU A 44 -10.502 -10.252 -5.353 1.00 71.41 H new ATOM 0 HD13 LEU A 44 -11.520 -8.805 -5.546 1.00 71.41 H new ATOM 0 HD21 LEU A 44 -9.335 -6.972 -6.675 1.00 74.21 H new ATOM 0 HD22 LEU A 44 -10.499 -6.530 -5.403 1.00 74.21 H new ATOM 0 HD23 LEU A 44 -8.752 -6.353 -5.111 1.00 74.21 H new ATOM 730 N MET A 45 -11.791 -9.194 -1.499 1.00 32.31 N ATOM 731 CA MET A 45 -12.718 -10.181 -0.876 1.00 74.32 C ATOM 732 C MET A 45 -14.142 -9.622 -0.854 1.00 21.31 C ATOM 733 O MET A 45 -15.109 -10.357 -0.866 1.00 14.55 O ATOM 734 CB MET A 45 -12.191 -10.373 0.548 1.00 41.32 C ATOM 735 CG MET A 45 -13.067 -11.389 1.284 1.00 65.10 C ATOM 736 SD MET A 45 -13.211 -12.894 0.290 1.00 1.33 S ATOM 737 CE MET A 45 -11.701 -13.703 0.871 1.00 71.43 C ATOM 0 H MET A 45 -10.977 -8.946 -0.936 1.00 32.31 H new ATOM 0 HA MET A 45 -12.755 -11.122 -1.425 1.00 74.32 H new ATOM 0 HB2 MET A 45 -11.158 -10.720 0.521 1.00 41.32 H new ATOM 0 HB3 MET A 45 -12.194 -9.421 1.080 1.00 41.32 H new ATOM 0 HG2 MET A 45 -12.633 -11.623 2.256 1.00 65.10 H new ATOM 0 HG3 MET A 45 -14.055 -10.967 1.469 1.00 65.10 H new ATOM 0 HE1 MET A 45 -11.902 -14.758 1.056 1.00 71.43 H new ATOM 0 HE2 MET A 45 -10.923 -13.609 0.113 1.00 71.43 H new ATOM 0 HE3 MET A 45 -11.367 -13.230 1.794 1.00 71.43 H new ATOM 747 N LYS A 46 -14.278 -8.325 -0.829 1.00 21.11 N ATOM 748 CA LYS A 46 -15.639 -7.717 -0.812 1.00 23.25 C ATOM 749 C LYS A 46 -16.517 -8.370 -1.883 1.00 31.13 C ATOM 750 O LYS A 46 -17.683 -8.632 -1.668 1.00 61.43 O ATOM 751 CB LYS A 46 -15.415 -6.238 -1.128 1.00 62.11 C ATOM 752 CG LYS A 46 -16.307 -5.382 -0.229 1.00 74.04 C ATOM 753 CD LYS A 46 -16.492 -4.003 -0.862 1.00 20.15 C ATOM 754 CE LYS A 46 -17.543 -4.090 -1.971 1.00 51.12 C ATOM 755 NZ LYS A 46 -18.397 -2.885 -1.784 1.00 30.03 N ATOM 0 H LYS A 46 -13.505 -7.659 -0.820 1.00 21.11 H new ATOM 0 HA LYS A 46 -16.145 -7.856 0.143 1.00 23.25 H new ATOM 0 HB2 LYS A 46 -14.368 -5.977 -0.973 1.00 62.11 H new ATOM 0 HB3 LYS A 46 -15.641 -6.041 -2.176 1.00 62.11 H new ATOM 0 HG2 LYS A 46 -17.275 -5.865 -0.093 1.00 74.04 H new ATOM 0 HG3 LYS A 46 -15.858 -5.283 0.759 1.00 74.04 H new ATOM 0 HD2 LYS A 46 -16.804 -3.282 -0.106 1.00 20.15 H new ATOM 0 HD3 LYS A 46 -15.546 -3.648 -1.270 1.00 20.15 H new ATOM 0 HE2 LYS A 46 -17.078 -4.096 -2.957 1.00 51.12 H new ATOM 0 HE3 LYS A 46 -18.128 -5.006 -1.890 1.00 51.12 H new ATOM 0 HZ1 LYS A 46 -19.143 -2.873 -2.508 1.00 30.03 H new ATOM 0 HZ2 LYS A 46 -18.832 -2.911 -0.839 1.00 30.03 H new ATOM 0 HZ3 LYS A 46 -17.814 -2.029 -1.873 1.00 30.03 H new ATOM 769 N GLY A 47 -15.963 -8.633 -3.033 1.00 34.14 N ATOM 770 CA GLY A 47 -16.761 -9.271 -4.118 1.00 22.00 C ATOM 771 C GLY A 47 -16.708 -10.790 -3.957 1.00 32.41 C ATOM 772 O GLY A 47 -17.694 -11.478 -4.143 1.00 25.22 O ATOM 0 H GLY A 47 -14.991 -8.434 -3.269 1.00 34.14 H new ATOM 0 HA2 GLY A 47 -17.794 -8.925 -4.077 1.00 22.00 H new ATOM 0 HA3 GLY A 47 -16.367 -8.983 -5.093 1.00 22.00 H new ATOM 776 N PHE A 48 -15.567 -11.320 -3.612 1.00 14.41 N ATOM 777 CA PHE A 48 -15.451 -12.796 -3.438 1.00 20.13 C ATOM 778 C PHE A 48 -16.248 -13.238 -2.207 1.00 24.45 C ATOM 779 O PHE A 48 -17.045 -14.152 -2.264 1.00 62.23 O ATOM 780 CB PHE A 48 -13.960 -13.053 -3.231 1.00 32.02 C ATOM 781 CG PHE A 48 -13.543 -14.295 -3.986 1.00 45.20 C ATOM 782 CD1 PHE A 48 -14.433 -15.369 -4.116 1.00 65.13 C ATOM 783 CD2 PHE A 48 -12.263 -14.374 -4.547 1.00 61.14 C ATOM 784 CE1 PHE A 48 -14.042 -16.520 -4.811 1.00 54.13 C ATOM 785 CE2 PHE A 48 -11.873 -15.524 -5.242 1.00 44.31 C ATOM 786 CZ PHE A 48 -12.761 -16.598 -5.374 1.00 55.34 C ATOM 0 H PHE A 48 -14.709 -10.795 -3.443 1.00 14.41 H new ATOM 0 HA PHE A 48 -15.843 -13.349 -4.291 1.00 20.13 H new ATOM 0 HB2 PHE A 48 -13.383 -12.196 -3.577 1.00 32.02 H new ATOM 0 HB3 PHE A 48 -13.747 -13.174 -2.169 1.00 32.02 H new ATOM 0 HD1 PHE A 48 -15.420 -15.309 -3.681 1.00 65.13 H new ATOM 0 HD2 PHE A 48 -11.576 -13.547 -4.443 1.00 61.14 H new ATOM 0 HE1 PHE A 48 -14.728 -17.348 -4.913 1.00 54.13 H new ATOM 0 HE2 PHE A 48 -10.886 -15.583 -5.677 1.00 44.31 H new ATOM 0 HZ PHE A 48 -12.459 -17.486 -5.909 1.00 55.34 H new ATOM 796 N GLY A 49 -16.035 -12.590 -1.092 1.00 34.44 N ATOM 797 CA GLY A 49 -16.773 -12.963 0.146 1.00 4.30 C ATOM 798 C GLY A 49 -16.499 -14.430 0.477 1.00 2.43 C ATOM 799 O GLY A 49 -15.547 -14.755 1.156 1.00 71.30 O ATOM 0 H GLY A 49 -15.379 -11.816 -0.987 1.00 34.44 H new ATOM 0 HA2 GLY A 49 -16.461 -12.327 0.974 1.00 4.30 H new ATOM 0 HA3 GLY A 49 -17.842 -12.803 0.007 1.00 4.30 H new ATOM 803 N GLN A 50 -17.325 -15.319 -0.002 1.00 11.52 N ATOM 804 CA GLN A 50 -17.110 -16.764 0.280 1.00 50.32 C ATOM 805 C GLN A 50 -16.805 -17.511 -1.019 1.00 33.43 C ATOM 806 O GLN A 50 -17.669 -17.674 -1.859 1.00 51.43 O ATOM 807 CB GLN A 50 -18.428 -17.248 0.887 1.00 70.32 C ATOM 808 CG GLN A 50 -18.152 -17.909 2.241 1.00 22.13 C ATOM 809 CD GLN A 50 -17.316 -16.967 3.109 1.00 45.32 C ATOM 810 OE1 GLN A 50 -16.641 -17.402 4.021 1.00 44.23 O ATOM 811 NE2 GLN A 50 -17.334 -15.684 2.865 1.00 42.54 N ATOM 0 H GLN A 50 -18.140 -15.106 -0.577 1.00 11.52 H new ATOM 0 HA GLN A 50 -16.268 -16.938 0.950 1.00 50.32 H new ATOM 0 HB2 GLN A 50 -19.113 -16.410 1.012 1.00 70.32 H new ATOM 0 HB3 GLN A 50 -18.912 -17.957 0.215 1.00 70.32 H new ATOM 0 HG2 GLN A 50 -19.092 -18.143 2.741 1.00 22.13 H new ATOM 0 HG3 GLN A 50 -17.624 -18.852 2.096 1.00 22.13 H new ATOM 0 HE21 GLN A 50 -17.900 -15.318 2.100 1.00 42.54 H new ATOM 0 HE22 GLN A 50 -16.782 -15.048 3.440 1.00 42.54 H new ATOM 820 N PRO A 51 -15.574 -17.928 -1.148 1.00 44.31 N ATOM 821 CA PRO A 51 -15.139 -18.657 -2.364 1.00 54.13 C ATOM 822 C PRO A 51 -15.722 -20.072 -2.383 1.00 13.34 C ATOM 823 O PRO A 51 -16.294 -20.536 -1.417 1.00 34.20 O ATOM 824 CB PRO A 51 -13.619 -18.695 -2.235 1.00 51.42 C ATOM 825 CG PRO A 51 -13.353 -18.572 -0.767 1.00 25.14 C ATOM 826 CD PRO A 51 -14.482 -17.770 -0.179 1.00 31.22 C ATOM 0 HA PRO A 51 -15.472 -18.183 -3.287 1.00 54.13 H new ATOM 0 HB2 PRO A 51 -13.212 -19.624 -2.634 1.00 51.42 H new ATOM 0 HB3 PRO A 51 -13.155 -17.880 -2.790 1.00 51.42 H new ATOM 0 HG2 PRO A 51 -13.297 -19.556 -0.302 1.00 25.14 H new ATOM 0 HG3 PRO A 51 -12.397 -18.080 -0.589 1.00 25.14 H new ATOM 0 HD2 PRO A 51 -14.765 -18.142 0.805 1.00 31.22 H new ATOM 0 HD3 PRO A 51 -14.206 -16.723 -0.056 1.00 31.22 H new ATOM 834 N GLN A 52 -15.575 -20.763 -3.482 1.00 33.21 N ATOM 835 CA GLN A 52 -16.112 -22.149 -3.574 1.00 72.15 C ATOM 836 C GLN A 52 -15.063 -23.067 -4.200 1.00 5.11 C ATOM 837 O GLN A 52 -14.108 -22.613 -4.799 1.00 32.42 O ATOM 838 CB GLN A 52 -17.340 -22.042 -4.479 1.00 33.24 C ATOM 839 CG GLN A 52 -18.250 -20.922 -3.976 1.00 43.30 C ATOM 840 CD GLN A 52 -18.838 -21.312 -2.617 1.00 13.10 C ATOM 841 OE1 GLN A 52 -19.255 -22.437 -2.422 1.00 53.11 O ATOM 842 NE2 GLN A 52 -18.889 -20.423 -1.662 1.00 43.03 N ATOM 0 H GLN A 52 -15.105 -20.425 -4.322 1.00 33.21 H new ATOM 0 HA GLN A 52 -16.365 -22.564 -2.599 1.00 72.15 H new ATOM 0 HB2 GLN A 52 -17.032 -21.841 -5.505 1.00 33.24 H new ATOM 0 HB3 GLN A 52 -17.881 -22.988 -4.488 1.00 33.24 H new ATOM 0 HG2 GLN A 52 -17.686 -19.993 -3.887 1.00 43.30 H new ATOM 0 HG3 GLN A 52 -19.051 -20.741 -4.692 1.00 43.30 H new ATOM 0 HE21 GLN A 52 -18.539 -19.479 -1.825 1.00 43.03 H new ATOM 0 HE22 GLN A 52 -19.279 -20.673 -0.753 1.00 43.03 H new ATOM 851 N LEU A 53 -15.227 -24.353 -4.070 1.00 54.42 N ATOM 852 CA LEU A 53 -14.231 -25.286 -4.663 1.00 0.52 C ATOM 853 C LEU A 53 -14.654 -25.688 -6.078 1.00 23.22 C ATOM 854 O LEU A 53 -15.487 -26.551 -6.266 1.00 23.34 O ATOM 855 CB LEU A 53 -14.221 -26.503 -3.737 1.00 12.33 C ATOM 856 CG LEU A 53 -12.931 -27.299 -3.956 1.00 14.43 C ATOM 857 CD1 LEU A 53 -12.949 -27.921 -5.355 1.00 61.31 C ATOM 858 CD2 LEU A 53 -11.727 -26.363 -3.830 1.00 10.42 C ATOM 0 H LEU A 53 -16.004 -24.797 -3.581 1.00 54.42 H new ATOM 0 HA LEU A 53 -13.243 -24.832 -4.747 1.00 0.52 H new ATOM 0 HB2 LEU A 53 -14.292 -26.183 -2.697 1.00 12.33 H new ATOM 0 HB3 LEU A 53 -15.088 -27.133 -3.937 1.00 12.33 H new ATOM 0 HG LEU A 53 -12.858 -28.088 -3.207 1.00 14.43 H new ATOM 0 HD11 LEU A 53 -12.032 -28.488 -5.513 1.00 61.31 H new ATOM 0 HD12 LEU A 53 -13.807 -28.587 -5.446 1.00 61.31 H new ATOM 0 HD13 LEU A 53 -13.021 -27.132 -6.103 1.00 61.31 H new ATOM 0 HD21 LEU A 53 -10.808 -26.929 -3.986 1.00 10.42 H new ATOM 0 HD22 LEU A 53 -11.799 -25.575 -4.579 1.00 10.42 H new ATOM 0 HD23 LEU A 53 -11.715 -25.918 -2.835 1.00 10.42 H new ATOM 870 N ALA A 54 -14.085 -25.067 -7.074 1.00 34.12 N ATOM 871 CA ALA A 54 -14.450 -25.412 -8.477 1.00 74.43 C ATOM 872 C ALA A 54 -13.444 -26.414 -9.047 1.00 73.53 C ATOM 873 O ALA A 54 -13.790 -27.296 -9.807 1.00 22.25 O ATOM 874 CB ALA A 54 -14.383 -24.091 -9.242 1.00 22.23 C ATOM 0 H ALA A 54 -13.382 -24.334 -6.977 1.00 34.12 H new ATOM 0 HA ALA A 54 -15.436 -25.872 -8.548 1.00 74.43 H new ATOM 0 HB1 ALA A 54 -14.640 -24.262 -10.287 1.00 22.23 H new ATOM 0 HB2 ALA A 54 -15.088 -23.382 -8.807 1.00 22.23 H new ATOM 0 HB3 ALA A 54 -13.374 -23.685 -9.178 1.00 22.23 H new ATOM 880 N MET A 55 -12.197 -26.288 -8.682 1.00 4.00 N ATOM 881 CA MET A 55 -11.167 -27.233 -9.199 1.00 11.22 C ATOM 882 C MET A 55 -10.002 -27.344 -8.209 1.00 55.24 C ATOM 883 O MET A 55 -9.572 -26.368 -7.627 1.00 25.50 O ATOM 884 CB MET A 55 -10.688 -26.621 -10.517 1.00 41.23 C ATOM 885 CG MET A 55 -10.149 -27.727 -11.427 1.00 3.30 C ATOM 886 SD MET A 55 -9.342 -26.984 -12.867 1.00 42.00 S ATOM 887 CE MET A 55 -10.572 -27.475 -14.101 1.00 53.54 C ATOM 0 H MET A 55 -11.847 -25.570 -8.047 1.00 4.00 H new ATOM 0 HA MET A 55 -11.566 -28.238 -9.336 1.00 11.22 H new ATOM 0 HB2 MET A 55 -11.510 -26.100 -11.008 1.00 41.23 H new ATOM 0 HB3 MET A 55 -9.910 -25.882 -10.326 1.00 41.23 H new ATOM 0 HG2 MET A 55 -9.440 -28.349 -10.880 1.00 3.30 H new ATOM 0 HG3 MET A 55 -10.963 -28.377 -11.748 1.00 3.30 H new ATOM 0 HE1 MET A 55 -10.267 -27.112 -15.083 1.00 53.54 H new ATOM 0 HE2 MET A 55 -10.651 -28.562 -14.124 1.00 53.54 H new ATOM 0 HE3 MET A 55 -11.540 -27.047 -13.840 1.00 53.54 H new ATOM 897 N ILE A 56 -9.492 -28.527 -8.012 1.00 4.42 N ATOM 898 CA ILE A 56 -8.357 -28.707 -7.062 1.00 5.21 C ATOM 899 C ILE A 56 -7.091 -29.098 -7.826 1.00 4.03 C ATOM 900 O ILE A 56 -7.089 -30.022 -8.615 1.00 2.05 O ATOM 901 CB ILE A 56 -8.797 -29.842 -6.137 1.00 72.42 C ATOM 902 CG1 ILE A 56 -10.046 -29.408 -5.366 1.00 4.24 C ATOM 903 CG2 ILE A 56 -7.673 -30.163 -5.148 1.00 22.13 C ATOM 904 CD1 ILE A 56 -10.786 -30.646 -4.856 1.00 62.15 C ATOM 0 H ILE A 56 -9.813 -29.381 -8.469 1.00 4.42 H new ATOM 0 HA ILE A 56 -8.127 -27.796 -6.510 1.00 5.21 H new ATOM 0 HB ILE A 56 -9.021 -30.729 -6.729 1.00 72.42 H new ATOM 0 HG12 ILE A 56 -9.766 -28.768 -4.529 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -10.699 -28.821 -6.011 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -7.988 -30.972 -4.489 1.00 22.13 H new ATOM 0 HG22 ILE A 56 -6.782 -30.468 -5.697 1.00 22.13 H new ATOM 0 HG23 ILE A 56 -7.448 -29.278 -4.553 1.00 22.13 H new ATOM 0 HD11 ILE A 56 -11.676 -30.338 -4.307 1.00 62.15 H new ATOM 0 HD12 ILE A 56 -11.079 -31.269 -5.701 1.00 62.15 H new ATOM 0 HD13 ILE A 56 -10.131 -31.215 -4.196 1.00 62.15 H new ATOM 916 N LEU A 57 -6.013 -28.397 -7.603 1.00 1.24 N ATOM 917 CA LEU A 57 -4.749 -28.726 -8.320 1.00 75.10 C ATOM 918 C LEU A 57 -3.843 -29.594 -7.435 1.00 1.23 C ATOM 919 O LEU A 57 -3.522 -29.225 -6.323 1.00 65.23 O ATOM 920 CB LEU A 57 -4.099 -27.371 -8.601 1.00 0.31 C ATOM 921 CG LEU A 57 -2.848 -27.572 -9.460 1.00 15.53 C ATOM 922 CD1 LEU A 57 -3.087 -26.982 -10.851 1.00 34.51 C ATOM 923 CD2 LEU A 57 -1.658 -26.868 -8.805 1.00 2.10 C ATOM 0 H LEU A 57 -5.953 -27.611 -6.956 1.00 1.24 H new ATOM 0 HA LEU A 57 -4.924 -29.293 -9.234 1.00 75.10 H new ATOM 0 HB2 LEU A 57 -4.804 -26.717 -9.114 1.00 0.31 H new ATOM 0 HB3 LEU A 57 -3.835 -26.881 -7.664 1.00 0.31 H new ATOM 0 HG LEU A 57 -2.635 -28.637 -9.547 1.00 15.53 H new ATOM 0 HD11 LEU A 57 -2.197 -27.124 -11.464 1.00 34.51 H new ATOM 0 HD12 LEU A 57 -3.934 -27.484 -11.319 1.00 34.51 H new ATOM 0 HD13 LEU A 57 -3.300 -25.917 -10.763 1.00 34.51 H new ATOM 0 HD21 LEU A 57 -0.768 -27.012 -9.418 1.00 2.10 H new ATOM 0 HD22 LEU A 57 -1.869 -25.802 -8.717 1.00 2.10 H new ATOM 0 HD23 LEU A 57 -1.488 -27.288 -7.813 1.00 2.10 H new ATOM 935 N PRO A 58 -3.463 -30.725 -7.968 1.00 42.21 N ATOM 936 CA PRO A 58 -2.588 -31.670 -7.231 1.00 3.30 C ATOM 937 C PRO A 58 -1.151 -31.146 -7.183 1.00 23.20 C ATOM 938 O PRO A 58 -0.844 -30.098 -7.715 1.00 0.40 O ATOM 939 CB PRO A 58 -2.657 -32.947 -8.061 1.00 63.50 C ATOM 940 CG PRO A 58 -3.008 -32.490 -9.441 1.00 54.15 C ATOM 941 CD PRO A 58 -3.811 -31.224 -9.298 1.00 55.33 C ATOM 0 HA PRO A 58 -2.900 -31.815 -6.197 1.00 3.30 H new ATOM 0 HB2 PRO A 58 -1.705 -33.477 -8.051 1.00 63.50 H new ATOM 0 HB3 PRO A 58 -3.408 -33.633 -7.669 1.00 63.50 H new ATOM 0 HG2 PRO A 58 -2.107 -32.310 -10.028 1.00 54.15 H new ATOM 0 HG3 PRO A 58 -3.583 -33.254 -9.965 1.00 54.15 H new ATOM 0 HD2 PRO A 58 -3.556 -30.501 -10.073 1.00 55.33 H new ATOM 0 HD3 PRO A 58 -4.880 -31.419 -9.383 1.00 55.33 H new ATOM 949 N LEU A 59 -0.269 -31.872 -6.558 1.00 44.04 N ATOM 950 CA LEU A 59 1.150 -31.425 -6.489 1.00 72.12 C ATOM 951 C LEU A 59 2.052 -32.426 -7.209 1.00 30.12 C ATOM 952 O LEU A 59 3.070 -32.846 -6.697 1.00 5.05 O ATOM 953 CB LEU A 59 1.489 -31.387 -5.006 1.00 44.40 C ATOM 954 CG LEU A 59 1.378 -32.793 -4.421 1.00 53.41 C ATOM 955 CD1 LEU A 59 2.751 -33.246 -3.921 1.00 55.13 C ATOM 956 CD2 LEU A 59 0.385 -32.784 -3.255 1.00 62.10 C ATOM 0 H LEU A 59 -0.469 -32.757 -6.091 1.00 44.04 H new ATOM 0 HA LEU A 59 1.295 -30.455 -6.965 1.00 72.12 H new ATOM 0 HB2 LEU A 59 2.498 -31.001 -4.863 1.00 44.40 H new ATOM 0 HB3 LEU A 59 0.812 -30.710 -4.485 1.00 44.40 H new ATOM 0 HG LEU A 59 1.027 -33.481 -5.190 1.00 53.41 H new ATOM 0 HD11 LEU A 59 2.673 -34.250 -3.503 1.00 55.13 H new ATOM 0 HD12 LEU A 59 3.457 -33.253 -4.752 1.00 55.13 H new ATOM 0 HD13 LEU A 59 3.103 -32.559 -3.151 1.00 55.13 H new ATOM 0 HD21 LEU A 59 0.305 -33.788 -2.837 1.00 62.10 H new ATOM 0 HD22 LEU A 59 0.735 -32.097 -2.485 1.00 62.10 H new ATOM 0 HD23 LEU A 59 -0.593 -32.461 -3.612 1.00 62.10 H new ATOM 1090 N ASN A 67 -6.511 -18.307 -16.673 1.00 44.14 N ATOM 1091 CA ASN A 67 -6.890 -17.218 -15.731 1.00 75.33 C ATOM 1092 C ASN A 67 -5.655 -16.697 -14.989 1.00 32.32 C ATOM 1093 O ASN A 67 -5.261 -15.558 -15.144 1.00 61.12 O ATOM 1094 CB ASN A 67 -7.867 -17.870 -14.755 1.00 54.12 C ATOM 1095 CG ASN A 67 -9.301 -17.498 -15.135 1.00 74.32 C ATOM 1096 OD1 ASN A 67 -9.641 -16.333 -15.200 1.00 43.23 O ATOM 1097 ND2 ASN A 67 -10.160 -18.446 -15.393 1.00 60.43 N ATOM 0 HA ASN A 67 -7.330 -16.363 -16.244 1.00 75.33 H new ATOM 0 HB2 ASN A 67 -7.745 -18.953 -14.773 1.00 54.12 H new ATOM 0 HB3 ASN A 67 -7.653 -17.542 -13.738 1.00 54.12 H new ATOM 0 HD21 ASN A 67 -11.118 -18.210 -15.650 1.00 60.43 H new ATOM 0 HD22 ASN A 67 -9.873 -19.423 -15.338 1.00 60.43 H new ATOM 1104 N ALA A 68 -5.045 -17.520 -14.180 1.00 34.35 N ATOM 1105 CA ALA A 68 -3.840 -17.060 -13.425 1.00 51.21 C ATOM 1106 C ALA A 68 -2.642 -17.963 -13.719 1.00 3.03 C ATOM 1107 O ALA A 68 -2.791 -19.119 -14.062 1.00 41.40 O ATOM 1108 CB ALA A 68 -4.239 -17.168 -11.953 1.00 24.40 C ATOM 0 H ALA A 68 -5.325 -18.486 -14.008 1.00 34.35 H new ATOM 0 HA ALA A 68 -3.544 -16.048 -13.702 1.00 51.21 H new ATOM 0 HB1 ALA A 68 -3.407 -16.848 -11.326 1.00 24.40 H new ATOM 0 HB2 ALA A 68 -5.103 -16.531 -11.763 1.00 24.40 H new ATOM 0 HB3 ALA A 68 -4.492 -18.202 -11.720 1.00 24.40 H new ATOM 1114 N ASP A 69 -1.453 -17.445 -13.580 1.00 60.34 N ATOM 1115 CA ASP A 69 -0.247 -18.274 -13.842 1.00 4.21 C ATOM 1116 C ASP A 69 0.105 -19.076 -12.589 1.00 3.13 C ATOM 1117 O ASP A 69 0.527 -18.532 -11.587 1.00 42.43 O ATOM 1118 CB ASP A 69 0.862 -17.273 -14.172 1.00 24.31 C ATOM 1119 CG ASP A 69 0.506 -16.525 -15.459 1.00 41.32 C ATOM 1120 OD1 ASP A 69 -0.270 -15.586 -15.379 1.00 30.30 O ATOM 1121 OD2 ASP A 69 1.016 -16.903 -16.500 1.00 61.05 O ATOM 0 H ASP A 69 -1.266 -16.483 -13.296 1.00 60.34 H new ATOM 0 HA ASP A 69 -0.396 -18.988 -14.652 1.00 4.21 H new ATOM 0 HB2 ASP A 69 0.986 -16.567 -13.351 1.00 24.31 H new ATOM 0 HB3 ASP A 69 1.812 -17.793 -14.292 1.00 24.31 H new ATOM 1126 N ILE A 70 -0.075 -20.365 -12.636 1.00 52.20 N ATOM 1127 CA ILE A 70 0.239 -21.207 -11.447 1.00 24.42 C ATOM 1128 C ILE A 70 1.604 -20.815 -10.864 1.00 50.42 C ATOM 1129 O ILE A 70 1.804 -20.831 -9.666 1.00 51.32 O ATOM 1130 CB ILE A 70 0.221 -22.652 -11.978 1.00 12.24 C ATOM 1131 CG1 ILE A 70 -0.574 -23.534 -11.012 1.00 52.24 C ATOM 1132 CG2 ILE A 70 1.645 -23.212 -12.113 1.00 34.33 C ATOM 1133 CD1 ILE A 70 -0.073 -23.307 -9.585 1.00 45.04 C ATOM 0 H ILE A 70 -0.426 -20.874 -13.447 1.00 52.20 H new ATOM 0 HA ILE A 70 -0.473 -21.081 -10.632 1.00 24.42 H new ATOM 0 HB ILE A 70 -0.244 -22.650 -12.964 1.00 12.24 H new ATOM 0 HG12 ILE A 70 -1.636 -23.298 -11.078 1.00 52.24 H new ATOM 0 HG13 ILE A 70 -0.463 -24.583 -11.285 1.00 52.24 H new ATOM 0 HG21 ILE A 70 1.600 -24.234 -12.490 1.00 34.33 H new ATOM 0 HG22 ILE A 70 2.215 -22.594 -12.807 1.00 34.33 H new ATOM 0 HG23 ILE A 70 2.132 -23.206 -11.138 1.00 34.33 H new ATOM 0 HD11 ILE A 70 -0.639 -23.935 -8.897 1.00 45.04 H new ATOM 0 HD12 ILE A 70 0.984 -23.565 -9.525 1.00 45.04 H new ATOM 0 HD13 ILE A 70 -0.207 -22.260 -9.315 1.00 45.04 H new ATOM 1145 N GLU A 71 2.543 -20.465 -11.703 1.00 24.15 N ATOM 1146 CA GLU A 71 3.887 -20.080 -11.187 1.00 72.42 C ATOM 1147 C GLU A 71 3.790 -18.789 -10.368 1.00 72.31 C ATOM 1148 O GLU A 71 4.382 -18.667 -9.312 1.00 41.22 O ATOM 1149 CB GLU A 71 4.748 -19.865 -12.432 1.00 60.05 C ATOM 1150 CG GLU A 71 4.153 -18.743 -13.288 1.00 34.31 C ATOM 1151 CD GLU A 71 4.994 -18.569 -14.553 1.00 43.01 C ATOM 1152 OE1 GLU A 71 6.047 -19.183 -14.631 1.00 23.14 O ATOM 1153 OE2 GLU A 71 4.573 -17.825 -15.423 1.00 70.21 O ATOM 0 H GLU A 71 2.438 -20.429 -12.717 1.00 24.15 H new ATOM 0 HA GLU A 71 4.309 -20.841 -10.530 1.00 72.42 H new ATOM 0 HB2 GLU A 71 5.767 -19.611 -12.141 1.00 60.05 H new ATOM 0 HB3 GLU A 71 4.802 -20.787 -13.011 1.00 60.05 H new ATOM 0 HG2 GLU A 71 3.123 -18.980 -13.553 1.00 34.31 H new ATOM 0 HG3 GLU A 71 4.130 -17.812 -12.722 1.00 34.31 H new ATOM 1160 N LYS A 72 3.048 -17.825 -10.841 1.00 55.41 N ATOM 1161 CA LYS A 72 2.912 -16.548 -10.083 1.00 2.31 C ATOM 1162 C LYS A 72 2.216 -16.807 -8.745 1.00 71.34 C ATOM 1163 O LYS A 72 2.352 -16.049 -7.804 1.00 73.34 O ATOM 1164 CB LYS A 72 2.053 -15.646 -10.970 1.00 65.14 C ATOM 1165 CG LYS A 72 2.956 -14.821 -11.885 1.00 62.32 C ATOM 1166 CD LYS A 72 3.393 -13.548 -11.157 1.00 52.14 C ATOM 1167 CE LYS A 72 2.778 -12.330 -11.848 1.00 55.43 C ATOM 1168 NZ LYS A 72 3.501 -11.159 -11.283 1.00 54.44 N ATOM 0 H LYS A 72 2.530 -17.866 -11.719 1.00 55.41 H new ATOM 0 HA LYS A 72 3.877 -16.094 -9.860 1.00 2.31 H new ATOM 0 HB2 LYS A 72 1.368 -16.250 -11.566 1.00 65.14 H new ATOM 0 HB3 LYS A 72 1.443 -14.986 -10.353 1.00 65.14 H new ATOM 0 HG2 LYS A 72 3.829 -15.405 -12.175 1.00 62.32 H new ATOM 0 HG3 LYS A 72 2.426 -14.564 -12.802 1.00 62.32 H new ATOM 0 HD2 LYS A 72 3.078 -13.586 -10.114 1.00 52.14 H new ATOM 0 HD3 LYS A 72 4.480 -13.470 -11.159 1.00 52.14 H new ATOM 0 HE2 LYS A 72 2.902 -12.386 -12.929 1.00 55.43 H new ATOM 0 HE3 LYS A 72 1.708 -12.264 -11.653 1.00 55.43 H new ATOM 0 HZ1 LYS A 72 3.133 -10.285 -11.710 1.00 54.44 H new ATOM 0 HZ2 LYS A 72 3.359 -11.127 -10.253 1.00 54.44 H new ATOM 0 HZ3 LYS A 72 4.516 -11.245 -11.490 1.00 54.44 H new ATOM 1182 N VAL A 73 1.469 -17.872 -8.657 1.00 64.21 N ATOM 1183 CA VAL A 73 0.762 -18.186 -7.385 1.00 52.12 C ATOM 1184 C VAL A 73 1.733 -18.822 -6.386 1.00 54.32 C ATOM 1185 O VAL A 73 1.560 -18.724 -5.187 1.00 30.24 O ATOM 1186 CB VAL A 73 -0.330 -19.179 -7.775 1.00 74.21 C ATOM 1187 CG1 VAL A 73 -1.193 -19.493 -6.553 1.00 72.21 C ATOM 1188 CG2 VAL A 73 -1.205 -18.570 -8.872 1.00 70.34 C ATOM 0 H VAL A 73 1.318 -18.540 -9.413 1.00 64.21 H new ATOM 0 HA VAL A 73 0.352 -17.296 -6.908 1.00 52.12 H new ATOM 0 HB VAL A 73 0.129 -20.097 -8.143 1.00 74.21 H new ATOM 0 HG11 VAL A 73 -1.973 -20.202 -6.831 1.00 72.21 H new ATOM 0 HG12 VAL A 73 -0.571 -19.926 -5.770 1.00 72.21 H new ATOM 0 HG13 VAL A 73 -1.651 -18.575 -6.186 1.00 72.21 H new ATOM 0 HG21 VAL A 73 -1.985 -19.279 -9.151 1.00 70.34 H new ATOM 0 HG22 VAL A 73 -1.663 -17.652 -8.504 1.00 70.34 H new ATOM 0 HG23 VAL A 73 -0.591 -18.345 -9.744 1.00 70.34 H new ATOM 1198 N LYS A 74 2.757 -19.472 -6.871 1.00 61.22 N ATOM 1199 CA LYS A 74 3.738 -20.112 -5.949 1.00 64.14 C ATOM 1200 C LYS A 74 4.352 -19.062 -5.021 1.00 40.14 C ATOM 1201 O LYS A 74 4.356 -19.210 -3.815 1.00 42.31 O ATOM 1202 CB LYS A 74 4.809 -20.712 -6.859 1.00 22.10 C ATOM 1203 CG LYS A 74 4.173 -21.757 -7.778 1.00 12.51 C ATOM 1204 CD LYS A 74 3.639 -22.920 -6.940 1.00 22.45 C ATOM 1205 CE LYS A 74 2.123 -22.785 -6.785 1.00 23.24 C ATOM 1206 NZ LYS A 74 1.571 -24.073 -7.286 1.00 1.13 N ATOM 0 H LYS A 74 2.956 -19.587 -7.865 1.00 61.22 H new ATOM 0 HA LYS A 74 3.274 -20.867 -5.314 1.00 64.14 H new ATOM 0 HB2 LYS A 74 5.278 -19.927 -7.453 1.00 22.10 H new ATOM 0 HB3 LYS A 74 5.595 -21.170 -6.259 1.00 22.10 H new ATOM 0 HG2 LYS A 74 3.363 -21.307 -8.352 1.00 12.51 H new ATOM 0 HG3 LYS A 74 4.908 -22.120 -8.496 1.00 12.51 H new ATOM 0 HD2 LYS A 74 3.883 -23.869 -7.418 1.00 22.45 H new ATOM 0 HD3 LYS A 74 4.116 -22.925 -5.960 1.00 22.45 H new ATOM 0 HE2 LYS A 74 1.846 -22.614 -5.745 1.00 23.24 H new ATOM 0 HE3 LYS A 74 1.741 -21.941 -7.359 1.00 23.24 H new ATOM 0 HZ1 LYS A 74 0.534 -24.009 -7.340 1.00 1.13 H new ATOM 0 HZ2 LYS A 74 1.955 -24.271 -8.232 1.00 1.13 H new ATOM 0 HZ3 LYS A 74 1.837 -24.841 -6.637 1.00 1.13 H new ATOM 1220 N GLN A 75 4.870 -18.001 -5.575 1.00 53.04 N ATOM 1221 CA GLN A 75 5.483 -16.941 -4.724 1.00 34.04 C ATOM 1222 C GLN A 75 4.413 -16.291 -3.846 1.00 51.50 C ATOM 1223 O GLN A 75 4.713 -15.593 -2.898 1.00 43.11 O ATOM 1224 CB GLN A 75 6.066 -15.926 -5.709 1.00 21.35 C ATOM 1225 CG GLN A 75 4.941 -15.316 -6.547 1.00 22.41 C ATOM 1226 CD GLN A 75 4.274 -14.183 -5.762 1.00 74.14 C ATOM 1227 OE1 GLN A 75 4.928 -13.243 -5.355 1.00 25.23 O ATOM 1228 NE2 GLN A 75 2.991 -14.232 -5.530 1.00 52.41 N ATOM 0 H GLN A 75 4.896 -17.822 -6.579 1.00 53.04 H new ATOM 0 HA GLN A 75 6.247 -17.336 -4.054 1.00 34.04 H new ATOM 0 HB2 GLN A 75 6.595 -15.142 -5.168 1.00 21.35 H new ATOM 0 HB3 GLN A 75 6.794 -16.412 -6.359 1.00 21.35 H new ATOM 0 HG2 GLN A 75 5.339 -14.935 -7.487 1.00 22.41 H new ATOM 0 HG3 GLN A 75 4.206 -16.080 -6.799 1.00 22.41 H new ATOM 0 HE21 GLN A 75 2.441 -15.020 -5.871 1.00 52.41 H new ATOM 0 HE22 GLN A 75 2.538 -13.482 -5.008 1.00 52.41 H new ATOM 1237 N ALA A 76 3.165 -16.519 -4.152 1.00 20.25 N ATOM 1238 CA ALA A 76 2.074 -15.920 -3.332 1.00 61.12 C ATOM 1239 C ALA A 76 1.704 -16.864 -2.188 1.00 12.43 C ATOM 1240 O ALA A 76 1.604 -16.464 -1.045 1.00 50.11 O ATOM 1241 CB ALA A 76 0.897 -15.758 -4.293 1.00 30.04 C ATOM 0 H ALA A 76 2.854 -17.094 -4.935 1.00 20.25 H new ATOM 0 HA ALA A 76 2.366 -14.970 -2.884 1.00 61.12 H new ATOM 0 HB1 ALA A 76 0.051 -15.321 -3.762 1.00 30.04 H new ATOM 0 HB2 ALA A 76 1.186 -15.104 -5.115 1.00 30.04 H new ATOM 0 HB3 ALA A 76 0.613 -16.733 -4.688 1.00 30.04 H new ATOM 1247 N LEU A 77 1.504 -18.119 -2.487 1.00 21.01 N ATOM 1248 CA LEU A 77 1.143 -19.092 -1.416 1.00 11.51 C ATOM 1249 C LEU A 77 2.358 -19.366 -0.528 1.00 32.41 C ATOM 1250 O LEU A 77 2.228 -19.715 0.628 1.00 50.02 O ATOM 1251 CB LEU A 77 0.716 -20.361 -2.154 1.00 63.10 C ATOM 1252 CG LEU A 77 -0.379 -20.017 -3.166 1.00 51.22 C ATOM 1253 CD1 LEU A 77 -0.866 -21.296 -3.849 1.00 41.35 C ATOM 1254 CD2 LEU A 77 -1.551 -19.352 -2.442 1.00 21.11 C ATOM 0 H LEU A 77 1.575 -18.512 -3.425 1.00 21.01 H new ATOM 0 HA LEU A 77 0.351 -18.719 -0.767 1.00 11.51 H new ATOM 0 HB2 LEU A 77 1.572 -20.804 -2.664 1.00 63.10 H new ATOM 0 HB3 LEU A 77 0.350 -21.102 -1.444 1.00 63.10 H new ATOM 0 HG LEU A 77 0.023 -19.335 -3.915 1.00 51.22 H new ATOM 0 HD11 LEU A 77 -1.646 -21.049 -4.569 1.00 41.35 H new ATOM 0 HD12 LEU A 77 -0.033 -21.773 -4.365 1.00 41.35 H new ATOM 0 HD13 LEU A 77 -1.267 -21.979 -3.100 1.00 41.35 H new ATOM 0 HD21 LEU A 77 -2.332 -19.107 -3.162 1.00 21.11 H new ATOM 0 HD22 LEU A 77 -1.951 -20.035 -1.693 1.00 21.11 H new ATOM 0 HD23 LEU A 77 -1.207 -18.440 -1.955 1.00 21.11 H new ATOM 1266 N THR A 78 3.541 -19.203 -1.056 1.00 72.43 N ATOM 1267 CA THR A 78 4.761 -19.446 -0.236 1.00 32.23 C ATOM 1268 C THR A 78 5.102 -18.186 0.563 1.00 42.05 C ATOM 1269 O THR A 78 5.650 -18.250 1.646 1.00 4.03 O ATOM 1270 CB THR A 78 5.866 -19.777 -1.245 1.00 53.52 C ATOM 1271 OG1 THR A 78 6.925 -20.449 -0.578 1.00 11.11 O ATOM 1272 CG2 THR A 78 6.400 -18.492 -1.884 1.00 61.12 C ATOM 0 H THR A 78 3.715 -18.913 -2.018 1.00 72.43 H new ATOM 0 HA THR A 78 4.630 -20.254 0.484 1.00 32.23 H new ATOM 0 HB THR A 78 5.456 -20.417 -2.026 1.00 53.52 H new ATOM 0 HG1 THR A 78 7.633 -20.663 -1.221 1.00 11.11 H new ATOM 0 HG21 THR A 78 7.185 -18.740 -2.599 1.00 61.12 H new ATOM 0 HG22 THR A 78 5.589 -17.978 -2.399 1.00 61.12 H new ATOM 0 HG23 THR A 78 6.807 -17.842 -1.109 1.00 61.12 H new ATOM 1280 N GLU A 79 4.770 -17.037 0.037 1.00 51.12 N ATOM 1281 CA GLU A 79 5.062 -15.770 0.762 1.00 24.02 C ATOM 1282 C GLU A 79 3.846 -15.359 1.597 1.00 12.05 C ATOM 1283 O GLU A 79 3.965 -14.991 2.750 1.00 43.15 O ATOM 1284 CB GLU A 79 5.330 -14.736 -0.332 1.00 4.04 C ATOM 1285 CG GLU A 79 6.572 -15.139 -1.127 1.00 62.23 C ATOM 1286 CD GLU A 79 7.822 -14.908 -0.275 1.00 73.14 C ATOM 1287 OE1 GLU A 79 8.189 -13.758 -0.096 1.00 71.02 O ATOM 1288 OE2 GLU A 79 8.392 -15.884 0.185 1.00 21.11 O ATOM 0 H GLU A 79 4.308 -16.923 -0.865 1.00 51.12 H new ATOM 0 HA GLU A 79 5.907 -15.867 1.444 1.00 24.02 H new ATOM 0 HB2 GLU A 79 4.469 -14.663 -0.996 1.00 4.04 H new ATOM 0 HB3 GLU A 79 5.474 -13.751 0.112 1.00 4.04 H new ATOM 0 HG2 GLU A 79 6.506 -16.187 -1.418 1.00 62.23 H new ATOM 0 HG3 GLU A 79 6.633 -14.556 -2.046 1.00 62.23 H new ATOM 1295 N GLN A 80 2.677 -15.418 1.018 1.00 74.34 N ATOM 1296 CA GLN A 80 1.448 -15.032 1.768 1.00 54.40 C ATOM 1297 C GLN A 80 0.629 -16.280 2.103 1.00 3.12 C ATOM 1298 O GLN A 80 0.283 -16.524 3.241 1.00 35.24 O ATOM 1299 CB GLN A 80 0.652 -14.127 0.822 1.00 5.32 C ATOM 1300 CG GLN A 80 1.590 -13.230 0.006 1.00 42.41 C ATOM 1301 CD GLN A 80 0.816 -12.639 -1.174 1.00 32.22 C ATOM 1302 OE1 GLN A 80 0.902 -11.458 -1.444 1.00 73.32 O ATOM 1303 NE2 GLN A 80 0.057 -13.421 -1.893 1.00 14.25 N ATOM 0 H GLN A 80 2.520 -15.718 0.056 1.00 74.34 H new ATOM 0 HA GLN A 80 1.687 -14.529 2.705 1.00 54.40 H new ATOM 0 HB2 GLN A 80 0.049 -14.737 0.149 1.00 5.32 H new ATOM 0 HB3 GLN A 80 -0.038 -13.510 1.397 1.00 5.32 H new ATOM 0 HG2 GLN A 80 1.987 -12.432 0.633 1.00 42.41 H new ATOM 0 HG3 GLN A 80 2.442 -13.806 -0.354 1.00 42.41 H new ATOM 0 HE21 GLN A 80 -0.014 -14.413 -1.665 1.00 14.25 H new ATOM 0 HE22 GLN A 80 -0.465 -13.040 -2.683 1.00 14.25 H new ATOM 1312 N GLY A 81 0.315 -17.069 1.112 1.00 33.22 N ATOM 1313 CA GLY A 81 -0.485 -18.300 1.361 1.00 51.43 C ATOM 1314 C GLY A 81 -1.768 -18.257 0.530 1.00 32.31 C ATOM 1315 O GLY A 81 -2.554 -19.184 0.534 1.00 71.43 O ATOM 0 H GLY A 81 0.579 -16.913 0.139 1.00 33.22 H new ATOM 0 HA2 GLY A 81 0.098 -19.183 1.101 1.00 51.43 H new ATOM 0 HA3 GLY A 81 -0.729 -18.379 2.420 1.00 51.43 H new ATOM 1319 N TYR A 82 -1.984 -17.191 -0.190 1.00 30.21 N ATOM 1320 CA TYR A 82 -3.216 -17.095 -1.028 1.00 22.13 C ATOM 1321 C TYR A 82 -2.944 -16.212 -2.249 1.00 61.20 C ATOM 1322 O TYR A 82 -2.197 -15.257 -2.180 1.00 70.04 O ATOM 1323 CB TYR A 82 -4.296 -16.452 -0.145 1.00 65.14 C ATOM 1324 CG TYR A 82 -4.051 -16.766 1.317 1.00 23.04 C ATOM 1325 CD1 TYR A 82 -3.113 -16.023 2.040 1.00 52.12 C ATOM 1326 CD2 TYR A 82 -4.761 -17.796 1.945 1.00 5.31 C ATOM 1327 CE1 TYR A 82 -2.883 -16.310 3.392 1.00 43.01 C ATOM 1328 CE2 TYR A 82 -4.532 -18.085 3.295 1.00 72.22 C ATOM 1329 CZ TYR A 82 -3.592 -17.342 4.019 1.00 2.52 C ATOM 1330 OH TYR A 82 -3.366 -17.626 5.349 1.00 75.15 O ATOM 0 H TYR A 82 -1.363 -16.383 -0.236 1.00 30.21 H new ATOM 0 HA TYR A 82 -3.532 -18.075 -1.385 1.00 22.13 H new ATOM 0 HB2 TYR A 82 -4.299 -15.372 -0.294 1.00 65.14 H new ATOM 0 HB3 TYR A 82 -5.279 -16.818 -0.441 1.00 65.14 H new ATOM 0 HD1 TYR A 82 -2.566 -15.228 1.556 1.00 52.12 H new ATOM 0 HD2 TYR A 82 -5.487 -18.369 1.387 1.00 5.31 H new ATOM 0 HE1 TYR A 82 -2.159 -15.735 3.950 1.00 43.01 H new ATOM 0 HE2 TYR A 82 -5.080 -18.881 3.778 1.00 72.22 H new ATOM 0 HH TYR A 82 -3.941 -18.369 5.627 1.00 75.15 H new ATOM 1340 N TYR A 83 -3.549 -16.520 -3.361 1.00 11.15 N ATOM 1341 CA TYR A 83 -3.327 -15.695 -4.583 1.00 43.14 C ATOM 1342 C TYR A 83 -4.645 -15.540 -5.348 1.00 52.42 C ATOM 1343 O TYR A 83 -5.276 -16.509 -5.720 1.00 51.21 O ATOM 1344 CB TYR A 83 -2.308 -16.474 -5.413 1.00 74.12 C ATOM 1345 CG TYR A 83 -2.137 -15.805 -6.755 1.00 22.31 C ATOM 1346 CD1 TYR A 83 -3.099 -15.987 -7.756 1.00 14.14 C ATOM 1347 CD2 TYR A 83 -1.018 -15.001 -6.998 1.00 24.34 C ATOM 1348 CE1 TYR A 83 -2.941 -15.365 -9.000 1.00 2.41 C ATOM 1349 CE2 TYR A 83 -0.860 -14.377 -8.241 1.00 62.35 C ATOM 1350 CZ TYR A 83 -1.822 -14.560 -9.243 1.00 55.44 C ATOM 1351 OH TYR A 83 -1.666 -13.944 -10.467 1.00 21.51 O ATOM 0 H TYR A 83 -4.188 -17.307 -3.478 1.00 11.15 H new ATOM 0 HA TYR A 83 -2.970 -14.692 -4.350 1.00 43.14 H new ATOM 0 HB2 TYR A 83 -1.352 -16.515 -4.890 1.00 74.12 H new ATOM 0 HB3 TYR A 83 -2.642 -17.503 -5.547 1.00 74.12 H new ATOM 0 HD1 TYR A 83 -3.963 -16.607 -7.568 1.00 14.14 H new ATOM 0 HD2 TYR A 83 -0.276 -14.862 -6.226 1.00 24.34 H new ATOM 0 HE1 TYR A 83 -3.683 -15.506 -9.772 1.00 2.41 H new ATOM 0 HE2 TYR A 83 0.003 -13.755 -8.428 1.00 62.35 H new ATOM 0 HH TYR A 83 -0.837 -13.422 -10.467 1.00 21.51 H new ATOM 1361 N LEU A 84 -5.068 -14.329 -5.576 1.00 74.41 N ATOM 1362 CA LEU A 84 -6.349 -14.113 -6.308 1.00 21.10 C ATOM 1363 C LEU A 84 -6.081 -13.764 -7.772 1.00 14.23 C ATOM 1364 O LEU A 84 -5.285 -12.899 -8.079 1.00 14.32 O ATOM 1365 CB LEU A 84 -7.019 -12.941 -5.585 1.00 63.23 C ATOM 1366 CG LEU A 84 -8.324 -12.566 -6.290 1.00 52.35 C ATOM 1367 CD1 LEU A 84 -9.118 -13.834 -6.621 1.00 42.32 C ATOM 1368 CD2 LEU A 84 -9.156 -11.672 -5.370 1.00 73.23 C ATOM 0 H LEU A 84 -4.583 -13.479 -5.288 1.00 74.41 H new ATOM 0 HA LEU A 84 -6.976 -15.005 -6.314 1.00 21.10 H new ATOM 0 HB2 LEU A 84 -7.221 -13.211 -4.548 1.00 63.23 H new ATOM 0 HB3 LEU A 84 -6.347 -12.083 -5.566 1.00 63.23 H new ATOM 0 HG LEU A 84 -8.096 -12.034 -7.213 1.00 52.35 H new ATOM 0 HD11 LEU A 84 -10.046 -13.561 -7.123 1.00 42.32 H new ATOM 0 HD12 LEU A 84 -8.526 -14.474 -7.276 1.00 42.32 H new ATOM 0 HD13 LEU A 84 -9.347 -14.370 -5.700 1.00 42.32 H new ATOM 0 HD21 LEU A 84 -10.087 -11.403 -5.869 1.00 73.23 H new ATOM 0 HD22 LEU A 84 -9.381 -12.208 -4.448 1.00 73.23 H new ATOM 0 HD23 LEU A 84 -8.595 -10.767 -5.137 1.00 73.23 H new ATOM 1380 N GLN A 85 -6.740 -14.433 -8.679 1.00 54.02 N ATOM 1381 CA GLN A 85 -6.518 -14.140 -10.121 1.00 3.43 C ATOM 1382 C GLN A 85 -7.757 -13.470 -10.722 1.00 23.54 C ATOM 1383 O GLN A 85 -8.875 -13.887 -10.495 1.00 63.32 O ATOM 1384 CB GLN A 85 -6.259 -15.505 -10.774 1.00 51.40 C ATOM 1385 CG GLN A 85 -7.587 -16.221 -11.055 1.00 14.05 C ATOM 1386 CD GLN A 85 -8.209 -15.713 -12.365 1.00 61.41 C ATOM 1387 OE1 GLN A 85 -9.240 -16.204 -12.781 1.00 63.42 O ATOM 1388 NE2 GLN A 85 -7.638 -14.749 -13.036 1.00 61.51 N ATOM 0 H GLN A 85 -7.420 -15.167 -8.483 1.00 54.02 H new ATOM 0 HA GLN A 85 -5.685 -13.456 -10.281 1.00 3.43 H new ATOM 0 HB2 GLN A 85 -5.706 -15.372 -11.704 1.00 51.40 H new ATOM 0 HB3 GLN A 85 -5.639 -16.117 -10.119 1.00 51.40 H new ATOM 0 HG2 GLN A 85 -7.420 -17.296 -11.118 1.00 14.05 H new ATOM 0 HG3 GLN A 85 -8.278 -16.054 -10.229 1.00 14.05 H new ATOM 0 HE21 GLN A 85 -6.773 -14.332 -12.693 1.00 61.51 H new ATOM 0 HE22 GLN A 85 -8.057 -14.413 -13.903 1.00 61.51 H new ATOM 1397 N LEU A 86 -7.561 -12.439 -11.496 1.00 53.43 N ATOM 1398 CA LEU A 86 -8.718 -11.740 -12.124 1.00 22.24 C ATOM 1399 C LEU A 86 -8.520 -11.689 -13.640 1.00 25.50 C ATOM 1400 O LEU A 86 -7.456 -11.333 -14.110 1.00 24.13 O ATOM 1401 CB LEU A 86 -8.699 -10.333 -11.528 1.00 12.20 C ATOM 1402 CG LEU A 86 -9.949 -10.118 -10.671 1.00 21.03 C ATOM 1403 CD1 LEU A 86 -11.177 -10.008 -11.575 1.00 44.51 C ATOM 1404 CD2 LEU A 86 -10.120 -11.302 -9.720 1.00 62.04 C ATOM 0 H LEU A 86 -6.646 -12.049 -11.722 1.00 53.43 H new ATOM 0 HA LEU A 86 -9.668 -12.242 -11.938 1.00 22.24 H new ATOM 0 HB2 LEU A 86 -7.803 -10.196 -10.922 1.00 12.20 H new ATOM 0 HB3 LEU A 86 -8.661 -9.591 -12.325 1.00 12.20 H new ATOM 0 HG LEU A 86 -9.842 -9.199 -10.095 1.00 21.03 H new ATOM 0 HD11 LEU A 86 -12.066 -9.855 -10.964 1.00 44.51 H new ATOM 0 HD12 LEU A 86 -11.054 -9.165 -12.254 1.00 44.51 H new ATOM 0 HD13 LEU A 86 -11.287 -10.926 -12.152 1.00 44.51 H new ATOM 0 HD21 LEU A 86 -11.010 -11.152 -9.108 1.00 62.04 H new ATOM 0 HD22 LEU A 86 -10.228 -12.220 -10.298 1.00 62.04 H new ATOM 0 HD23 LEU A 86 -9.245 -11.380 -9.075 1.00 62.04 H new